ITCMDBv1
IngredientID 20887

Gypenoside

C41H70O12

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Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Trial: 2Experiment: 1Herb: 12Ingredient: 1Reference: 7Target: 12Links: 34
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
20887
Core Entity Id
26397
Source Entity Count
1
Preferred Name
Gypenoside
Name En
Pubchem Id
11331683
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@](O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[C@]3([H]) [C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O3)O2)(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[H]
Molecular Formula
C41H70O12
Molecular Weight
754.9990
Inchikey
FBFMBWCLBGQEBU-KHFNJRQDSA-N
Inchi
InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1
Isomeric Smiles
CC(=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)C)O)C)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)C
Cas Id
Ob Score
10.2818
Mol Logp
-0.0268
Num H Donors
11
Num H Acceptors
12
Num Rotatable Bonds
12
Drug Likeness
0.0770
Polar Surface Area
199.0000
Molecular Volume
543.0000
Alogp
1.0000

Names

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

Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-12-Hydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,1
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gensenoside- Rd
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Viii
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Viii_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Xiii
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Ⅷ
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Ⅸ_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-3,12-Dihydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-12-Hydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,1
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-6-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-6-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-3-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-3-[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20-o-beta-d-xylopyranosyl(1→6)-beta-d-gluco-pyranosyl-20(s)-protopanaxadiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
20-o-beta-d-xylopyranosyl(1→6)-beta-d-gluco-pyranosyl-20(s)-protopanaxadiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gensenoside- Rd
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gensenoside-rd
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gensenoside-rd
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside Rd
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ginsenoside Rd
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside rd
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside rd
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside-Rd
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gypenoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside VIII
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside VIII
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Gypenoside VIII_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside Viii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Viii_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside XIII
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gypenoside Xiii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside viii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside viii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside viii_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside viii_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside xiii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenoside xiii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside Ⅷ
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside Ⅸ_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenoside ⅸ_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gypenoside ⅸ_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenosideix
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Gypenosideix
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gypenosideix
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
gensenoside- Rd
Role
preferred
Source
TCMBank
Preferred
Yes
Name
gensenoside- Rd
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gypenoside IX
Role
preferred
Source
TCMBank
Preferred
Yes
Name
gypenoside IX
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gypenoside XIII
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gypenoside Ⅷ
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
gypenoside Ⅸ
Role
preferred
Source
TCMBank
Preferred
Yes
Name
gypenoside Ⅸ_qt
Role
preferred
Source
TCMBank
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
绞股蓝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
绞股蓝;西洋参;秦岭珠子蔘;人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAO GU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
JIAO GU LAN;XI YANG SHEN;QIN LING ZHU ZI SHEN;REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
珠子蔘 Panax japonicus
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
FiveIeaf Gynostemma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
FiveIeaf Gynostemma ;American Ginseng;Largeleaf Japanese Ginseng ;Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Ginseng
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
(20S)-ginsenoside Rd
Role
alias
Source
HERB_v2
Preferred
No
Name
(20S)-ginsenoside Rd
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9S,10R,12R,13R,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9S,10R,12R,13R,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-((2S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentame
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-3,12-dihydroxy-4,4,8,10,14-pent
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-12-hydroxy-4,4,8,10,14-pentamethyl
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,
Role
alias
Source
TCMBank
Preferred
No
Name
(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(hydroxymethyl)-6-[6-(hydroxymethyl)-2-[[17-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-b
Role
alias
Source
TCMBank
Preferred
No
Name
2-[[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-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)-3-oxanyl]oxy]-6
Role
alias
Source
TCMBank
Preferred
No
Name
20-Gluco-ginsenoside-Rf
Role
alias
Source
HERB_v2
Preferred
No
Name
20-Gluco-ginsenoside-Rf
Role
alias
Source
itcmdb_public
Preferred
No
Name
20-O-Glucoginsenoside Rf
Role
alias
Source
itcmdb_public
Preferred
No
Name
20-O-Glucoginsenoside Rf
Role
alias
Source
HERB_v2
Preferred
No
Name
20-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
20-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
52705-93-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
52705-93-8
Role
alias
Source
HERB_v2
Preferred
No
Name
68406-27-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
68406-27-9
Role
alias
Source
HERB_v2
Preferred
No
Name
80321-63-7
Role
alias
Source
HERB_v2
Preferred
No
Name
80321-63-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
80325-22-0
Role
alias
Source
HERB_v2
Preferred
No
Name
80325-22-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
A829210
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS040759023
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040759023
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040761024
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040761024
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRD-K75189747-001-01-2
Role
alias
Source
HERB_v2
Preferred
No
Name
BRD-K75189747-001-01-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67988
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67988
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:77490
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:77490
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL525935
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL525935
Role
alias
Source
HERB_v2
Preferred
No
Name
Chikusetsusaponin FK7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chikusetsusaponin FK7
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001314276
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID001314276
Role
alias
Source
itcmdb_public
Preferred
No
Name
G-Rd
Role
alias
Source
HERB_v2
Preferred
No
Name
G-Rd
Role
alias
Source
itcmdb_public
Preferred
No
Name
GS-Rd
Role
alias
Source
itcmdb_public
Preferred
No
Name
GS-Rd
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside Rd
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside Rd
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gypenoside IX
Role
alias
Source
HERB_v2
Preferred
No
Name
Gypenoside IX
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gypenoside VIII
Role
alias
Source
HERB_v2
Preferred
No
Name
Gypenoside VIII
Role
alias
Source
itcmdb_public
Preferred
No
Name
Gypenoside XIII
Role
alias
Source
HERB_v2
Preferred
No
Name
Gypenoside XIII
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N6881
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N6881
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8901
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N8901
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00799993
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00799993
Role
alias
Source
HERB_v2
Preferred
No
Name
PD062729
Role
alias
Source
HERB_v2
Preferred
No
Name
PD062729
Role
alias
Source
itcmdb_public
Preferred
No
Name
SW219585-1
Role
alias
Source
HERB_v2
Preferred
No
Name
SW219585-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-WB232T95AV
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-WB232T95AV
Role
alias
Source
itcmdb_public
Preferred
No
Name
WB232T95AV
Role
alias
Source
HERB_v2
Preferred
No
Name
WB232T95AV
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside Mx
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside Mx
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside-rd
Role
alias
Source
TCMBank
Preferred
No
Name
gypenoside viii
Role
alias
Source
TCMBank
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,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-12-Hydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,1Gensenoside- RdGypenoside ViiiGypenoside Viii_QtGypenoside XiiiGypenoside ⅧGypenoside Ⅸ_Qt(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-3,12-Dihydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,1220-o-beta-d-xylopyranosyl(1→6)-beta-d-gluco-pyranosyl-20(s)-protopanaxadiolGensenoside-rdGinsenoside RdGinsenoside-RdGypenosideixgypenoside IXgypenoside Ⅸ三七人参竹节蔘;珠子蔘绞股蓝绞股蓝;西洋参;秦岭珠子蔘;人参JIAO GU LANJIAO GU LAN;XI YANG SHEN;QIN LING ZHU ZI SHEN;REN SHENREN SHEN珠子蔘 Panax japonicusFiveIeaf GynostemmaFiveIeaf Gynostemma ;American Ginseng;Largeleaf Japanese Ginseng ;GinsengGinsengPanax japonicus C. A. Mey.;Panax bipinnatifidum Seem.Panax notoginseng(20S)-ginsenoside Rd(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9S,10R,12R,13R,14R,17R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-((2S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentame(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-3,12-dihydroxy-4,4,8,10,14-pent(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-12-hydroxy-4,4,8,10,14-pentamethyl(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside2-(hydroxymethyl)-6-[6-(hydroxymethyl)-2-[[17-[2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-b2-[[2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hept-5-en-2-yl]-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)-3-oxanyl]oxy]-620-Gluco-ginsenoside-Rf20-O-Glucoginsenoside Rf20-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol52705-93-868406-27-980321-63-780325-22-0A829210AKOS040759023AKOS040761024BRD-K75189747-001-01-2CHEBI:67988CHEBI:77490CHEMBL525935Chikusetsusaponin FK7DTXSID001314276G-RdGS-RdHY-N6881HY-N8901MFCD00799993PD062729SW219585-1UNII-WB232T95AVWB232T95AVbeta-D-Glucopyranoside, (3beta,6alpha,12beta)-20-(beta-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-ginsenoside Mx13.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
52705-93-880321-63-7
Hit
C0823C0985
Herb
HBIN003432HBIN006650HBIN006653HBIN027487HBIN027739HBIN028608HBIN028609HBIN028616HBIN028658HBIN028662HBIN028663HBIN028666
Npass
NPC121648NPC127801NPC146480NPC208477NPC213545NPC269298
Tcmid
2281423034257138426912891299132
Tcmsp
MOL005337MOL006738MOL006739MOL006747MOL006748MOL006749MOL007477MOL007494MOL009880MOL009892MOL009935MOL009936MOL009939MOL011411
Sym Map
SMIT01663SMIT02572SMIT07113SMIT08306SMIT08307SMIT08315SMIT08316SMIT08317SMIT08916SMIT10960SMIT10972SMIT11015SMIT11016SMIT11019SMIT12317SMIT18240SMIT18947
Tcm Id
11401114021911222827247194027
Pub Chem
11331683116798001221731681285592524721561303696343244878577444
Tcmbank
TCMBANKIN011121TCMBANKIN011373TCMBANKIN014390TCMBANKIN016144TCMBANKIN019018TCMBANKIN024892TCMBANKIN026213TCMBANKIN034592TCMBANKIN034972TCMBANKIN036873TCMBANKIN050210TCMBANKIN051817TCMBANKIN055964TCMBANKIN056035
Etcm Ingredient
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12Ginsenoside-RdGypenoside VIIIgensenoside- Rdgypenoside IXgypenoside XIIIgypenoside Ⅷgypenoside Ⅸgypenoside,xiiigypenosideⅧ
Itcmdb Generated
ITX-INGREDIENT-1BD81B90D0D7ITX-INGREDIENT-2360C187FB76ITX-INGREDIENT-310D83A296D0ITX-INGREDIENT-4C3D4FA5F5CAITX-INGREDIENT-4C726C8FB375ITX-INGREDIENT-55855C3D66FCITX-INGREDIENT-6060C2AF1568ITX-INGREDIENT-61EC93BD0EF6ITX-INGREDIENT-7EA129187F05ITX-INGREDIENT-83E8696E262DITX-INGREDIENT-83F576E4BD66ITX-INGREDIENT-A7F8577A255EITX-INGREDIENT-BF0D1CFAD8D3ITX-INGREDIENT-C14DC69D9E5DITX-INGREDIENT-C99B4E2C4DEFITX-INGREDIENT-DE92E3E8A271ITX-INGREDIENT-DEF9F1DCEE00ITX-INGREDIENT-F98EF1385C07

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
13
In Ch I
InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42+,44+,45-,46-,47+/m1/s1InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)64-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-43-39(36(59)33(56)27(20-51)65-43)66-41-37(60)34(57)31(54)25(18-49)63-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39-,40-,41+,42-,43-,45-,46+,47+,48-/m1/s1InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-42-38(61)35(58)32(55)26(19-50)64-42)22-11-15-46(6)30(22)23(52)16-28-45(5)14-12-29(53)44(3,4)40(45)24(17-47(28,46)7)62-43-39(36(59)33(56)27(20-51)65-43)66-41-37(60)34(57)31(54)25(18-49)63-41/h10,22-43,49-61H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1
Mol Wt
754.9990000000006917.1400000000007947.1660000000007963.1650000000009
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@](O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[C@]3([H]) [C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O3)O2)(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[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])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])O[C@]2([H])C([H]) ([H])O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@@]5([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@@]6([H])O[H])[C@@]6([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[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])(OC([H])([H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@] 2([H])O[H])[C@@]3([H])O[H])[C@]([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@@]7([H])O[H])[C@]([H])(O[H])[C@@]7([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])(OC([H])([H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@] 2([H])O[H])[C@@]3([H])O[H])[C@]([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[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[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]2([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])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C5([H])[H])[C@]5([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@]6([H])O[H])[C@]6([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[H]CC(=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)CO)O)O)O)C
37 Flag
37
C Count
414748
Mol Log P
-0.02679999999999261-1.0559999999999930.6123000000000052.788100000000004
N Count
0
O Count
121718
P Count
0
S Count
0
Version
v1v1,v2
In Ch Ikey
FBFMBWCLBGQEBU-KHFNJRQDSA-NFBFMBWCLBGQEBU-RXMALORBSA-NRLDVZILFNVRJTL-IWFVLDDISA-NYNBYFOIDLBTOMW-IPTBNLQOSA-NZTQSADJAYQOCDD-UAQOTDPRSA-N
Ob Score
10.2818210.2818200810.28211.3694642413.42213.4223945313.4223953.7786441974.4209947584.4209954.4214.6139087384.6139094.6145.0184199385.4050286465.4995.4992188065.4992198.0818918.0818912088.0828.819500728.829.3237366869.324
Suppress
01
Tcm Name
三七人参竹节蔘;珠子蔘绞股蓝绞股蓝;西洋参;秦岭珠子蔘;人参
Tcm Name2
JIAO GU LANJIAO GU LAN;XI YANG SHEN;QIN LING ZHU ZI SHEN;REN SHENREN 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 Rd.mol2/TCM_database/2003_3d_all/3368.mol2/TCM_database/2003_3d_all/3655.mol2/TCM_database/2007_3d_all/08427.mol2/TCM_database/2007_3d_all/09129.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/gypenoside IX.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/gypenoside XIII.mol2
Reference
22, 47514, 87, 451, 9004, 87, 451, 900, 4647, 4702, 4757, 5474, 5508
Num Hdonors
1112138
Tcm Name En
FiveIeaf Gynostemma FiveIeaf Gynostemma ;American Ginseng;Largeleaf Japanese Ginseng ;Ginseng GinsengPanax japonicus C. A. Mey.;Panax bipinnatifidum Seem.Panax notoginseng
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
11128
Drug Likeness
0.0770.0850.0950.161
Num Hacceptors
12171819
Level1 Name En
hemostatic medicinaltonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinalstasis-resolving hemostatic medicinal
Isomeric Smiles
CC(=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)C)O)C)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@H]([C@H]([C@@H](CO7)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[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](CO6)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)O)O)O)CCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)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)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)CCC(=CCC[C@](C)([C@@H]1CC[C@]2([C@H]1[C@H](C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@@]3(CC[C@H](C4(C)C)O)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)O)C)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)C
Molecule Weight
460.82474.8755.11769.09917.27947.165947.3963.3
Num H Acceptors
121718
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)CCC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)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)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(CO7)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)CO)O)O)O)C
Herb Alias Names
Gypenoside XIIIginsenoside Mx80325-22-0CHEBI:77490(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol20-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy]dammar-24-ene-3beta,12-diol(3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside20-(beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyloxy)dammar-24-ene-3beta,12-diol(2S,3R,4S,5S,6R)-2-((2S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triolHY-N6881
Molecular Weight
754.490768.470916.540946.550962.550
Molecular Volume
543641657658
Molecular Weight
05.01842755917917.13947947.15
Molecule Formula
C 48 H 82 O 18|C48H82O18
Molecular Formula
C41H68O13C41H70O12C47H80O17C48H82O18C48H82O19
Molecular Formula
917.27C41H70O12C47H80O17C48H82O18
Molecular Formula
C41H70O12C47H80O17C48H82O18C48H82O19
Num Rotatable Bonds
12139
Link Ingredient Id
1663.0
Num Rotatable Bonds
12139
Molecular Polar Surface Area
199278298
Fda Maximum Daily Dose (Fdamdd)
0.0050.0080.0090.0140.0150.0230.0260.1270.2470.906
Quantitative Estimate Of Drug Likeness（Qed）
0.0770.0840.0850.0910.0950.161