ITCMDBv1
IngredientID 5245

Gypenoside iii

C30H52O3

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Experiment: 2Herb: 12Ingredient: 1Reference: 7Target: 12Links: 33
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
5245
Core Entity Id
9018
Source Entity Count
1
Preferred Name
Gypenoside iii
Name En
Pubchem Id
11048822
Smiles Canonical
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])O[C@]2([H])C([H]) ([H])O[C@@]([H])([C@]([H])(O[H])[C@@]3([H])O[H])OC([H])([H])[C@]3([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H] )[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]([H])(O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]7([H])O[C@@]([H])(O[C@@]([H])(C([H])([H])O [H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@@]8([H])O[H]
Molecular Formula
C30H52O3
Molecular Weight
1079.2810
Inchikey
AGBCLJAHARWNLA-DQUQINEDSA-N
Inchi
InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3
Isomeric Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)C
Cas Id
52286-74-5
Ob Score
10.0640
Mol Logp
-1.5635
Num H Donors
14
Num H Acceptors
13
Num Rotatable Bonds
15
Drug Likeness
0.0580
Polar Surface Area
219.0000
Molecular Volume
361.0000
Alogp
-1.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(1S)-1-Hydroxy-1,5-Dimethylhex-4-Enyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]-4,5-Dihydroxy-
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
20(S)-Protopanaxadiol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chikusetsusaponin I
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gensenoside- Rb1
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gensenoside- Rb1_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ginseng Saponin Rb1
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside I_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Iii_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Protopanoxadiol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(20S)-protopanaxadiol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(20S)-protopanaxadiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(1S)-1-Hydroxy-1,5-Dimethylhex-4-Enyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]-4,5-Dihydroxy-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3r,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3r,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20(S)-Ginsenoside Rg2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
20(S)-Ginsenoside-Rg2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
20(S)-Protopanaxadiol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
20(S)-ginsenoside-Rg2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
20(s)-ginsenoside-rg2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
20(s)-ginsenoside-rg2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20(s)-protopanaxadiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20(s)-protopanaxadiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Betulafolienetriol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Betulafolienetriol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Betulafolientriol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Betulafolientriol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Betulafolientriol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Betulafolientriol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chikusetsusaponin I
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chikusetsusaponin i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chikusetsusaponin i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gensenoside- Rb1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gensenoside- Rb1_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gensenoside-rb1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gensenoside-rb1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gensenoside-rb1_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gensenoside-rb1_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginseng Saponin Rb1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Rb1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Rb2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginsenoside Rg2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ginsenoside rb1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside rb1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside rb2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside rg2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside rg2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-Rb1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginsenoside-Rb2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside-Rg2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside-Rg2_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside-rb2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-rg2_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-rg2_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside III_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside I_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside I_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside Iii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Iii_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside i_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside i_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside iii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside iii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside iii_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside iii_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Protopanaxadiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Protopanaxadiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Protopanaxadiol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Protopanoxadiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Protopanoxadiol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Protopanoxadiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
betulafolienetriol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
chikusetsusaponin I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
chikusetsusaponin I
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gensenoside- Rb1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gensenoside- Rb1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
gensenoside- Rb1_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ginsenoside Rb1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ginsenoside Rb2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ginsenoside-Rg2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ginsenoside-Rg2_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
gypenosideIII
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
protopanaxadiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
protopanaxadiol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
protopanoxadiol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
protopanoxadiol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
竹节蔘;珠子蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
西洋参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
西洋蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
XI YANG SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
珠子蔘 Panax japonicus
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
American Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax bipinnatifidum Seem.;Panax japonicus C. A. Mey.
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax japonicus C. A. Mey.;Panax bipinnatifidum Seem.
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax notoginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax quinquefolium L.
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(20R)-Protopanaxadiol
Role
alias
Source
HERB_v2
Preferred
No
Name
(20R)-Protopanaxdiol
Role
alias
Source
HERB_v2
Preferred
No
Name
(20R)-Protopanaxdiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-Protopanaxadiol
Role
alias
Source
HERB_v2
Preferred
No
Name
(20S)-Protopanaxadiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-Protopanaxdiol
Role
alias
Source
HERB_v2
Preferred
No
Name
(20S)-Protopanaxdiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-ginsenoside Rb2
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-ginsenoside Rb2
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4R,5R,6S)-2-((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-6-methyloxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6
Role
alias
Source
TCMBank
Preferred
No
Name
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3R,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3beta,12beta)-20-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
11021-13-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
11021-13-9
Role
alias
Source
HERB_v2
Preferred
No
Name
12770-17-1
Role
alias
Source
TCMBank
Preferred
No
Name
17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-O-
Role
alias
Source
TCMBank
Preferred
No
Name
2-O-beta-Glucopyranosyl-(3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
20(R)-Protopanaxadiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
20(S)-APPD
Role
alias
Source
itcmdb_public
Preferred
No
Name
20(S)-APPD
Role
alias
Source
HERB_v2
Preferred
No
Name
20(S)-Ginsenoside Rg2
Role
alias
Source
itcmdb_public
Preferred
No
Name
20(S)-Ginsenoside Rg2
Role
alias
Source
HERB_v2
Preferred
No
Name
20(S)-ginsenoside Rb1
Role
alias
Source
TCMBank
Preferred
No
Name
20-Epiprotopanaxadiol
Role
alias
Source
HERB_v2
Preferred
No
Name
20-Epiprotopanaxadiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
212055-66-8
Role
alias
Source
TCMBank
Preferred
No
Name
3-Epibetulafolientriol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Epibetulafolientriol
Role
alias
Source
itcmdb_public
Preferred
No
Name
30636-90-9
Role
alias
Source
HERB_v2
Preferred
No
Name
30636-90-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
393829-67-9
Role
alias
Source
TCMBank
Preferred
No
Name
41753-43-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
41753-43-9
Role
alias
Source
HERB_v2
Preferred
No
Name
41753-43-9
Role
alias
Source
TCMBank
Preferred
No
Name
52286-61-0
Role
alias
Source
TCMBank
Preferred
No
Name
52286-74-5
Role
alias
Source
HERB_v2
Preferred
No
Name
52286-74-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
5R89LAS235
Role
alias
Source
HERB_v2
Preferred
No
Name
5R89LAS235
Role
alias
Source
itcmdb_public
Preferred
No
Name
6892-79-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
6892-79-1
Role
alias
Source
HERB_v2
Preferred
No
Name
7413S0WMH6
Role
alias
Source
TCMBank
Preferred
No
Name
753G439
Role
alias
Source
TCMBank
Preferred
No
Name
7755-01-03 00:00:00
Role
alias
Source
SymMap_v2
Preferred
No
Name
7755-01-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
7755-01-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7755/1/3
Role
alias
Source
TCMBank
Preferred
No
Name
87700-07-0
Role
alias
Source
TCMBank
Preferred
No
Name
A)-20-[(6-O-
Role
alias
Source
TCMBank
Preferred
No
Name
A,12
Role
alias
Source
TCMBank
Preferred
No
Name
A-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
A-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl
Role
alias
Source
TCMBank
Preferred
No
Name
A-D-glucopyranosyl-
Role
alias
Source
TCMBank
Preferred
No
Name
A-Glucopyranosyl-(3
Role
alias
Source
TCMBank
Preferred
No
Name
AB0016710
Role
alias
Source
TCMBank
Preferred
No
Name
AC1MIVF3
Role
alias
Source
TCMBank
Preferred
No
Name
AC1MIVF3
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS025311537
Role
alias
Source
TCMBank
Preferred
No
Name
Ambap41753-43-9
Role
alias
Source
TCMBank
Preferred
No
Name
Arasaponin E1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arasaponin E1
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50317541
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50317543
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50317543
Role
alias
Source
itcmdb_public
Preferred
No
Name
BIDD:ER0108
Role
alias
Source
TCMBank
Preferred
No
Name
Betulafolienetriol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Betulafolienetriol
Role
alias
Source
HERB_v2
Preferred
No
Name
Betulafolientriol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Betulafolientriol
Role
alias
Source
HERB_v2
Preferred
No
Name
Betulafolientriol, 3-epimer
Role
alias
Source
itcmdb_public
Preferred
No
Name
Betulafolientriol, 3-epimer
Role
alias
Source
HERB_v2
Preferred
No
Name
C20713
Role
alias
Source
TCMBank
Preferred
No
Name
C54H92O23
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:67989
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:75950
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:75950
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:76237
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:76237
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:77151
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:77151
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:77152
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:77152
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1095005
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1095005
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1669123
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1669123
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL501515
Role
alias
Source
TCMBank
Preferred
No
Name
CS-3829
Role
alias
Source
TCMBank
Preferred
No
Name
Chikusetsusaponin I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chikusetsusaponin I
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90988626
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90988626
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dammar-24-ene-3,12,20-triol, (3alpha,12beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dammar-24-ene-3,12,20-triol, (3alpha,12beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Dammar-24-ene-3,12,20-triol, (3beta,12beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dammar-24-ene-3,12,20-triol, (3beta,12beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Dammar-24-ene-3,12,20-triol,(3a,12b)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dammar-24-ene-3,12,20-triol,(3a,12b)-
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 234-251-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 234-251-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Folienetriol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Folienetriol
Role
alias
Source
HERB_v2
Preferred
No
Name
GF VI
Role
alias
Source
HERB_v2
Preferred
No
Name
GF VI
Role
alias
Source
itcmdb_public
Preferred
No
Name
GINSENOSIDE 20-RG2
Role
alias
Source
HERB_v2
Preferred
No
Name
GINSENOSIDE 20-RG2
Role
alias
Source
itcmdb_public
Preferred
No
Name
GRb 1
Role
alias
Source
TCMBank
Preferred
No
Name
GS-Rb1
Role
alias
Source
TCMBank
Preferred
No
Name
GZYPWOGIYAIIPV-JBDTYSNRSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
Ginsenoside C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginsenoside C
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside RG2
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside RG2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginsenoside Rb1 (saponin of panax ginseng)
Role
alias
Source
TCMBank
Preferred
No
Name
Ginsenoside Rb1, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Ginsenoside Rb1, primary pharmaceutical reference standard
Role
alias
Source
TCMBank
Preferred
No
Name
Ginsenoside Rb2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginsenoside Rb2
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside rb1
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside-Rb1 from Panax ginseng (Korean ginseng) root
Role
alias
Source
TCMBank
Preferred
No
Name
Ginsenoside-Rb1 from Panax ginseng (Korean ginseng) root, triterpenoid saponin
Role
alias
Source
TCMBank
Preferred
No
Name
Gynosaponin C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gynosaponin C
Role
alias
Source
TCMBank
Preferred
No
Name
Gynosaponin C
Role
alias
Source
HERB_v2
Preferred
No
Name
Gypenoside III
Role
alias
Source
HERB_v2
Preferred
No
Name
Gypenoside III
Role
alias
Source
TCMBank
Preferred
No
Name
Gypenoside III
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gypenoside XVII_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N0039
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00133367
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD12032048
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD12032048
Role
alias
Source
HERB_v2
Preferred
No
Name
MR8AEF5T1N
Role
alias
Source
HERB_v2
Preferred
No
Name
MR8AEF5T1N
Role
alias
Source
itcmdb_public
Preferred
No
Name
MolPort-016-638-397
Role
alias
Source
TCMBank
Preferred
No
Name
N1620
Role
alias
Source
TCMBank
Preferred
No
Name
N219O0L31C
Role
alias
Source
HERB_v2
Preferred
No
Name
N219O0L31C
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 308878
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 308878
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 310103
Role
alias
Source
TCMBank
Preferred
No
Name
O899
Role
alias
Source
TCMBank
Preferred
No
Name
P6717R7BP8
Role
alias
Source
itcmdb_public
Preferred
No
Name
P6717R7BP8
Role
alias
Source
HERB_v2
Preferred
No
Name
Panax saponin E
Role
alias
Source
HERB_v2
Preferred
No
Name
Panax saponin E
Role
alias
Source
TCMBank
Preferred
No
Name
Panaxsaponin E
Role
alias
Source
itcmdb_public
Preferred
No
Name
Prosapogenin C2
Role
alias
Source
HERB_v2
Preferred
No
Name
Prosapogenin C2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Protopanaxadiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Protopanaxadiol
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudoginsenoside D
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoginsenoside D
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudoginsenoside D
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q-100470
Role
alias
Source
TCMBank
Preferred
No
Name
S-GINSENOSIDE RG2
Role
alias
Source
HERB_v2
Preferred
No
Name
S-GINSENOSIDE RG2
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5934492
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5934492
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5934495
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5934495
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sanchinoside E1
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanchinoside E1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sanchinoside E1
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-5R89LAS235
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-5R89LAS235
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-7413S0WMH6
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-N219O0L31C
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-N219O0L31C
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, (3-beta,12-beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-
Role
alias
Source
TCMBank
Preferred
No
Name
chikusetsusaponin I_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
chikusetsusaponin I_qt
Role
alias
Source
TCMBank
Preferred
No
Name
chikusetsusaponin I_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
chikusetsusaponinⅠ
Role
alias
Source
TCMBank
Preferred
No
Name
chikusetsusaponinⅠ_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
chikusetsusaponinⅠ_qt
Role
alias
Source
TCMBank
Preferred
No
Name
chikusetsusaponinⅠ_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
gensenoside Rb1
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside Rg2_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside r g2
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside- F2_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside- Rb2_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside- Rb2_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside- Rb2_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside- Rc_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside- Rc_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside- Rc_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside- Rg2_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside- Rg2_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside-F2_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside-F2_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside-Ra0_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside-Ra0_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside-Ra0_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside-Rb1
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenosiderb1
Role
alias
Source
TCMBank
Preferred
No
Name
gypenoside XI_qt
Role
alias
Source
TCMBank
Preferred
No
Name
gypenoside XI_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
gypenoside XI_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
gypenosideXVII_qt
Role
alias
Source
TCMBank
Preferred
No
Name
gypenosideXVII_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
protopanaxdiol
Role
alias
Source
HERB_v2
Preferred
No
Name
protopanaxdiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.化瘀止血药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
stasis-resolving hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(1S)-1-Hydroxy-1,5-Dimethylhex-4-Enyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl]Oxy]-4,5-Dihydroxy-(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-Hydroxy-6-Methylhept-5-En-2-Yl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,12-Diol20(S)-ProtopanaxadiolChikusetsusaponin IGensenoside- Rb1Gensenoside- Rb1_QtGinseng Saponin Rb1Gypenoside I_QtGypenoside Iii_QtProtopanoxadiol(20S)-protopanaxadiol20(S)-Ginsenoside Rg220(S)-Ginsenoside-Rg2BetulafolienetriolBetulafolientriolGensenoside-rb1Gensenoside-rb1_qtGinsenoside Rb1Ginsenoside Rb2Ginsenoside Rg2Ginsenoside-Rb1Ginsenoside-Rb2Ginsenoside-Rg2Ginsenoside-Rg2_QtProtopanaxadiolgypenosideIII三七人参竹节蔘;珠子蔘西洋参西洋蔘REN SHENXI YANG SHEN珠子蔘 Panax japonicusAmerican GinsengGinsengPanax bipinnatifidum Seem.;Panax japonicus C. A. Mey.Panax japonicus C. A. Mey.;Panax bipinnatifidum Seem.Panax notoginsengPanax quinquefolium L.(20R)-Protopanaxadiol(20R)-Protopanaxdiol(20S)-Protopanaxdiol(20S)-ginsenoside Rb2(2R,3R,4R,5R,6S)-2-((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-6-methyloxane-3,4,5-triol(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3R,8R,9R,10R,12R,13R,14S,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1R)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol(3beta,12beta)-20-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside11021-13-912770-17-117-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol2-O-2-O-beta-Glucopyranosyl-(3beta,12beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl-beta-D-glucopyranoside20(R)-Protopanaxadiol20(S)-APPD20(S)-ginsenoside Rb120-Epiprotopanaxadiol212055-66-83-Epibetulafolientriol30636-90-9393829-67-941753-43-952286-61-052286-74-55R89LAS2356892-79-17413S0WMH6753G4397755-01-03 00:00:007755-01-37755/1/387700-07-0A)-20-[(6-O-A,12A-D-glucopyranosideA-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-ylA-D-glucopyranosyl-A-Glucopyranosyl-(3AB0016710AC1MIVF3AKOS025311537Ambap41753-43-9Arasaponin E1BDBM50317541BDBM50317543BIDD:ER0108Betulafolientriol, 3-epimerC20713C54H92O23CHEBI:67989CHEBI:75950CHEBI:76237CHEBI:77151CHEBI:77152CHEMBL1095005CHEMBL1669123CHEMBL501515CS-3829DTXSID90988626Dammar-24-ene-3,12,20-triol, (3alpha,12beta)-Dammar-24-ene-3,12,20-triol, (3beta,12beta)-Dammar-24-ene-3,12,20-triol,(3a,12b)-EINECS 234-251-4FolienetriolGF VIGINSENOSIDE 20-RG2GRb 1GS-Rb1GZYPWOGIYAIIPV-JBDTYSNRSA-NGinsenoside CGinsenoside Rb1 (saponin of panax ginseng)Ginsenoside Rb1, European Pharmacopoeia (EP) Reference StandardGinsenoside Rb1, primary pharmaceutical reference standardGinsenoside-Rb1 from Panax ginseng (Korean ginseng) rootGinsenoside-Rb1 from Panax ginseng (Korean ginseng) root, triterpenoid saponinGynosaponin CGypenoside XVII_qtHY-N0039MFCD00133367MFCD12032048MR8AEF5T1NMolPort-016-638-397N1620N219O0L31CNSC 308878NSC 310103O899P6717R7BP8Panax saponin EPanaxsaponin EProsapogenin C2Pseudoginsenoside DQ-100470S-GINSENOSIDE RG2SCHEMBL5934492SCHEMBL5934495Sanchinoside E1UNII-5R89LAS235UNII-7413S0WMH6UNII-N219O0L31Cbeta-D-Glucopyranoside, (3-beta,12-beta)-20-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-chikusetsusaponin I_qtchikusetsusaponinⅠchikusetsusaponinⅠ_qtgensenoside Rb1ginsenoside Rg2_qtginsenoside r g2ginsenoside- F2_qtginsenoside- Rb2_qtginsenoside- Rc_qtginsenoside- Rg2_qtginsenoside-F2_qtginsenoside-Ra0_qtginsenosiderb1gypenoside XI_qtgypenosideXVII_qtprotopanaxdiol13.补虚药(60-62)7.止血药(25-26)hemostatic medicinaltonifying and replenishing medicinal1.补气药(15-15)2.化瘀止血药(5-5)qi-tonifying medicinalstasis-resolving hemostatic medicinal

Cross References

Trusted external identifiers retained for this final record.

Cas
11021-13-930636-90-941753-43-952286-74-5
Hit
C0802C0810C0813C0866
Herb
HBIN003499HBIN003510HBIN006641HBIN009550HBIN009661HBIN018368HBIN018370HBIN020300HBIN027485HBIN027486HBIN027729HBIN027731HBIN027732HBIN027749HBIN027750HBIN028612HBIN028613HBIN028614HBIN040932HBIN040935
Npass
NPC155010NPC16520NPC208650NPC273410NPC276660NPC324419NPC63368
Tcmid
1796723219232712328250512571625717842284238430
Tcmsp
MOL005283MOL005285MOL005331MOL005332MOL005333MOL005334MOL006734MOL006736MOL006737MOL006740MOL007476MOL007482MOL007506MOL009897MOL009898MOL011393MOL011396MOL011403MOL011404MOL011412MOL012332MOL012333MOL012507MOL012646MOL012676
Sym Map
SMIT00600SMIT00848SMIT01682SMIT02396SMIT02542SMIT02543SMIT07066SMIT07107SMIT07108SMIT07109SMIT07110SMIT08302SMIT08304SMIT08305SMIT08308SMIT08909SMIT08922SMIT10977SMIT10978SMIT12313SMIT12314SMIT12318SMIT13098SMIT13099SMIT13256SMIT13385SMIT15573SMIT18950SMIT18951SMIT24129
Tcm Id
11399114001300013001153119108191092472740324037403840536232
Pub Chem
1104882211213350123134853126969512129123221293168411346886621377065641392920181457060292159992430806333080644380020443252457777198644100969179767146382673148989047498982799920281
Tcmbank
TCMBANKIN003247TCMBANKIN003630TCMBANKIN005729TCMBANKIN008923TCMBANKIN009883TCMBANKIN017785TCMBANKIN018531TCMBANKIN020299TCMBANKIN020751TCMBANKIN022216TCMBANKIN022831TCMBANKIN024175TCMBANKIN028020TCMBANKIN031758TCMBANKIN035710TCMBANKIN036885TCMBANKIN037973TCMBANKIN042725TCMBANKIN044510TCMBANKIN051185TCMBANKIN051809TCMBANKIN051810TCMBANKIN055961TCMBANKIN055962TCMBANKIN057020TCMBANKIN058867
Etcm Ingredient
(20S)-protopanaxadiol20(S)-Ginsenoside Rg2BetulafolientriolGinsenoside Rb1Ginsenoside Rb2Ginsenoside-Rb1Gypenoside IIIchikusetsusaponin Igensenoside- Rb1ginsenoside Rg2ginsenoside- Rb2ginsenoside-Rg2gypenosideIIIprotopanaxadiolprotopanoxadiol
Itcmdb Generated
ITX-INGREDIENT-010AFF48D0FFITX-INGREDIENT-04BD2ABBA3E7ITX-INGREDIENT-0BC2AEA60907ITX-INGREDIENT-1453800F095EITX-INGREDIENT-203D5AB7DBE1ITX-INGREDIENT-284F7DE41DC6ITX-INGREDIENT-29379487D4D0ITX-INGREDIENT-5921CBAD1CCAITX-INGREDIENT-64B85AB32F3AITX-INGREDIENT-6854EAD9B0B7ITX-INGREDIENT-766107FB2E14ITX-INGREDIENT-76971C1678A9ITX-INGREDIENT-7D62E3D8AC09ITX-INGREDIENT-823758FF4BE1ITX-INGREDIENT-8D9DCC3CB0D9ITX-INGREDIENT-9037DBEAD58DITX-INGREDIENT-9DF85CB66720ITX-INGREDIENT-A0D42D660AAFITX-INGREDIENT-AED43B3E17F1ITX-INGREDIENT-B7254BFC6A43ITX-INGREDIENT-B9FED7DF234DITX-INGREDIENT-BD1D1DD4F562ITX-INGREDIENT-C681902035DAITX-INGREDIENT-CA427C5B8013ITX-INGREDIENT-D946F0BC0593ITX-INGREDIENT-EBFF06140FF0ITX-INGREDIENT-EE367143236AITX-INGREDIENT-F51FCE71266D

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredientsQC ingredients
Alog P
-126
In Ch I
InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,27-,28+,29+,30-/m0/s1InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22?,23+,24+,25-,27-,28+,29-,30-/m0/s1InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36+,37+,39+,40+,41+,42-/m0/s1InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1
Mol Wt
1079.2810000000011109.307000000001460.7430000000003785.0250000000004
Cas Id
52286-74-5
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@@]([H])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])O[C@]2([H])C([H]) ([H])O[C@@]([H])([C@]([H])(O[H])[C@@]3([H])O[H])OC([H])([H])[C@]3([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H] )[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]([H])(O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]7([H])O[C@@]([H])(O[C@@]([H])(C([H])([H])O [H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@@]8([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@@]2([H])O[C@@]([H])(C([H])([H])O[C@]3([H])OC([H])([H])[C@]([H])(O[H])[C @]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@]5(C([H])([H] )[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@]7([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[C@@]8([H])O[C@@]([H])(C([H])([H])O[H ])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]8([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[C@]([H])(O[C@]([H])(C([H])([H])O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@ @]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@]3([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C @@]5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[C@@]([H])(O[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]7([H])O[C@@]([H])(O[C@@]([H ])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]8([H])O[H])[C@@]8([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@](C([H])([H])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H]) ([H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])O[H])C([H])( [H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](C([H])([H])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])( [H])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C4([H])[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[C@]([H])(O[C@]([H])(C([H])([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2 ([H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@]3([H])O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C4([H])[H])[C@@]45C([H])([H])[H])[C@@] 5(C([H])([H])[H])C([H])([H])C6([H])[H])[C@]6([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]1([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]7([H])O[H])[C@]7([H])O[C@]([H])(O[C@]([H])(C([H])( [H])O[H])[C@@]([H])(O[H])[C@]8([H])O[H])[C@]8([H])O[H]C1([H])([H])[C@]([H])(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@]3([H])O[H])C(C([H])([H])[H ])(C([H])([H])[H])[C@@]4([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@](O[C@]([H])(O[C@]([H])(C([H])([H])O[C@]([H])(OC([H])([H])[C@]([H])(O[H])[C@]5([H])O[H] )[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])[C@]6([H])O[H])(C([H])([H])[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C7([H])[H])[C@@]78C([H])([H])[H])[C@@]8(C([H]) ([H])[H])C([H])([H])C4([H])[H])C1([H])[H]CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)CCC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)CCC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)O)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O
37 Flag
37
C Count
30425354
Mol Log P
-1.563499999999986-2.2025999999999832.1474000000000046.50060000000001
N Count
0
O Count
1322233
P Count
0
S Count
0
Version
v1v1,v2v2
In Ch Ikey
AGBCLJAHARWNLA-DQUQINEDSA-NAGBCLJAHARWNLA-GGBIZLPOSA-NGZYPWOGIYAIIPV-JBDTYSNRSA-NNODILNFGTFIURN-GZPRDHCNSA-NPYXFVCFISTUSOO-HKUCOEKDSA-NPYXFVCFISTUSOO-UHFFFAOYSA-NPYXFVCFISTUSOO-VUFVRDRTSA-NPYXFVCFISTUSOO-WMQFBVARSA-NPYXFVCFISTUSOO-ZEUDUZSSSA-N
Ob Score
10.06410.0644489210.06444910.09210.09229610.0922964710.28610.28608210.2860824212.81412.814155812.81415617.7578343320.11820.1182407120.11824121.1407309921.14073121.14129.69229.69203729.692037473.0137206923.0137213.0146.0206308556.0216.2363287346.4067532818.3168918.3179.7378489.7378481969.737848196;6.427084355
Suppress
01
Tcm Name
三七人参 人参 ;西洋参桦木皮;红桦皮竹节蔘;珠子蔘西洋参西洋蔘
Tcm Name2
HUA MU PI;HONG HUA PIREN SHENREN SHEN;XI YANG SHENXI YANG SHEN珠子蔘 Panax japonicus
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/竹节蔘/structure/2D,3D/3D/Ginsenoside Rb2.mol2/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/竹节蔘/structure/2D,3D/3D/ginsenoside Rb1.mol2/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/西洋蔘/structure/ginsenoside Rb2.mol2/TCM_database/2003_3d_all/3364.mol2/TCM_database/2003_3d_all/3365.mol2/TCM_database/2003_3d_all/7068.mol2/TCM_database/2003_3d_all/884.mol2/TCM_database/2007_3d_all/08423.mol2/TCM_database/2007_3d_all/08431.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/(20S)-protopanaxadiol.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/protopanaxadiol.mol2
Reference
15212, 4, 87, 135, 329, 613, 900, 4139, 4416, 4647, 4702, 5474, 5501, 5508, 55254, 87, 135, 329, 613, 9004, 87, 451, 9004, 87, 451, 900, 4416, 4702, 5474, 55086
Num Hdonors
141539
Tcm Name En
American GinsengAsian White Birch Bark;Japanese White Birch BarkGinseng Ginseng ;American GinsengPanax bipinnatifidum Seem.;Panax japonicus C. A. Mey.Panax japonicus C. A. Mey.;Panax bipinnatifidum Seem.Panax notoginsengPanax quinquefolium L.
Level1 Name
13.补虚药(60-62)7.止血药(25-26)
Level2 Name
1.补气药(15-15)2.化瘀止血药(5-5)
Num H Donors
141539
Drug Likeness
0.0580.0650.1210.42
Num Hacceptors
1322233
Level1 Name En
hemostatic medicinaltonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinalstasis-resolving hemostatic medicinal
Isomeric Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)CCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)CCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)CCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)O)O)O)CCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)CCC(=CCC[C@@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)O)C)C)O)C)O)CCC(=CCC[C@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)CC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3C[C@@]4([C@H](C[C@H]([C@H]5[C@]4(CC[C@@H]5[C@](C)(CCC=C(C)C)O)C)O)[C@@]6([C@@H]3C([C@H](CC6)O)(C)C)C)C)CO)O)O)O)O)O
Molecule Weight
1003.371079.431109.46446.79460.82476.82490.8785.14931.25
Num H Acceptors
1322233
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)O)CCC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)CCC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(CO8)O)O)O)O)O)O)CCC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)O)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O
Herb Alias Names
20(S)-Ginsenoside Rg2CHEMBL1095005(2R,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol(2R,3R,4R,5R,6S)-2-((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy-6-methyloxane-3,4,5-triolBDBM50317543
Molecular Weight
1002.5801078.5901108.600446.380460.390784.500930.520
Molecular Volume
361365558732742751760
Molecular Weight
10791079.2711091109.291109.3 g/mol460.7 g/mol460.73461785785.01
Molecule Formula
C30H52O3C53H90O22C54H92O23
Molecular Formula
C29H50O3C30H52O3C42H72O13C47H78O18C51H86O19C53H90O22C54H92O23
Molecular Formula
C30H52O3C42H72O13C53H90O22C54H92O23
Molecular Formula
C30H52O3C42H72O13C53H90O22C54H92O23
Num Rotatable Bonds
151649
Link Ingredient Id
1682.02396.07109.0
Num Rotatable Bonds
151649
Molecular Polar Surface Area
21935737761
Fda Maximum Daily Dose (Fdamdd)
0.0000.0020.0040.0090.0110.0170.0390.0400.0680.0770.7010.8460.9240.942
Quantitative Estimate Of Drug Likeness（Qed）
0.0510.0580.0650.1150.1210.4200.457