Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Reference: 1Target: 3Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2551
- Core Entity Id
- 6023
- Source Entity Count
- 1
- Preferred Name
- Pseudoginsenoside f11
- Name En
- Pubchem Id
- 131676121
- 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@@]2(C([H])([H])[H])O[C@]([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C([H ])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]6([H])O[H])[C@]([H])(O[C@]([H])(O[C@@]([H])(C([H])([H])[H])[C@]7([H])O[H]) [C@]([H])(O[H])[C@]7([H])O[H])[C@@]6([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
- Molecular Formula
- C36H62O10
- Molecular Weight
- 654.8820
- Inchikey
- JBGYSAVRIDZNKA-NKECSCAMSA-N
- Inchi
- InChI=1S/C36H62O10/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8)14-11-24(46-36)32(3,4)43)9-13-34(25,6)35(22,7)16-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3
- Isomeric Smiles
- CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C
- Cas Id
- 98474-78-3
- Ob Score
- 14.0770
- Mol Logp
- 1.3586
- Num H Donors
- 7
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.1660
- Polar Surface Area
- 228.0000
- Molecular Volume
- 565.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S,5R)-5-(2-Hydroxypropan-2-Yl)-2-Methyloxolan-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]-6-(Hydroxymethyl)Oxa
Role
Molecule_name
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-[(2S,5R)-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Tetrahydrofuranyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthr
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Pseudo-Ginsenoside F11_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Pseudo-Ginsenosidert5
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Pseudoginsenoside F11
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S,5R)-5-(2-Hydroxypropan-2-Yl)-2-Methyloxolan-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]-6-(Hydroxymethyl)Oxa
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxa
Role
preferred
Source
TCMBank
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-[(2S,5R)-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Tetrahydrofuranyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthr
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-[(2S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthr
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2r,3r,4s,5s,6r)-2-[[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-17-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxa
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2r,3r,4s,5s,6r)-2-[[(3s,5r,6s,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-17-[(2s,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxa
Role
preferred
Source
itcmdb_public
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-[(2s,5r)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthr
Role
preferred
Source
HERB_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-[(2s,5r)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthr
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudo-Ginsenoside F11
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pseudo-Ginsenoside F11_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pseudo-Ginsenosidert5
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pseudo-ginsenoside F11
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pseudo-ginsenoside F11_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pseudo-ginsenoside f11
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudo-ginsenoside f11
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseudo-ginsenoside f11_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseudo-ginsenoside f11_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudo-ginsenosidert5
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseudo-ginsenosidert5
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudo-ginsenosidert5_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudo-ginsenosidert5_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseudoginsenoside Rt5_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pseudoginsenoside-RT5
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
pseudo-ginsenosideRT5
Role
preferred
Source
TCMBank
Preferred
Yes
Name
pseudo-ginsenosideRT5_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
pseudoginsenoside f11
Role
preferred
Source
TCMBank
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Panax notoginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-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]-6-(hyd
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-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]-6-meth
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]-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]-6-(hydro
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-oxolan-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]-6-(hydroxymethyl)ox
Role
alias
Source
TCMBank
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxane-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-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth
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,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-
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,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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
(2S,3R,4R,5R,6S)-2-[(2R,3S,4R,5R,6R)-6-[[3,12-dihydroxy-17-[(5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(3ss,6a,12ss,24R)-20,24-Epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
(3ss,6a,12ss,24R)-20,24-Epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-({7,11-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-({7,11-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
69884-00-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
69884-00-0
Role
alias
Source
HERB_v2
Preferred
No
Name
98474-78-3
Role
alias
Source
HERB_v2
Preferred
No
Name
98474-78-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1O3DUP
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS030530367
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS030530367
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS037514802
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS037514802
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-3844
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-3844
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-77192
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-77192
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00275690
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00275690
Role
alias
Source
HERB_v2
Preferred
No
Name
Dammarane, ss-D-glucopyranoside deriv.
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dammarane, ss-D-glucopyranoside deriv.
Role
alias
Source
HERB_v2
Preferred
No
Name
GINSENOSIDE A1
Role
alias
Source
HERB_v2
Preferred
No
Name
Ginsenoside A1
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS2205M07
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS2205M07
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N0541
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N0541
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N0542
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N0542
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD10566641
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD10566641
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS002473294
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS002473294
Role
alias
Source
HERB_v2
Preferred
No
Name
MS-30984
Role
alias
Source
HERB_v2
Preferred
No
Name
MS-30984
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pseudoginsenoside F11
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudoginsenoside F11
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pseudoginsenoside FII
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pseudoginsenoside FII
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudoginsenoside Rt5
Role
alias
Source
HERB_v2
Preferred
No
Name
Pseudoginsenoside Rt5
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR001397381
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR001397381
Role
alias
Source
HERB_v2
Preferred
No
Name
b-D-Glucopyranoside,(3b,6a,12b,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl
Role
alias
Source
HERB_v2
Preferred
No
Name
b-D-Glucopyranoside,(3b,6a,12b,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl
Role
alias
Source
itcmdb_public
Preferred
No
Name
pseudoginsenoside F11_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
pseudoginsenoside F11_qt
Role
alias
Source
TCMBank
Preferred
No
Name
pseudoginsenoside F11_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
pseudoginsenoside RT5_qt
Role
alias
Source
itcmdb_public
Preferred
No
Name
pseudoginsenoside RT5_qt
Role
alias
Source
HERB_v2
Preferred
No
Name
pseudoginsenoside RT5_qt
Role
alias
Source
TCMBank
Preferred
No
Name
ss-D-Glucopyranoside, (3ss,6a,12ss,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ss-D-Glucopyranoside, (3ss,6a,12ss,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-
Role
alias
Source
HERB_v2
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
2.化瘀止血药(5-5)
Role
level2_name
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.
(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-17-[(2S,5R)-5-(2-Hydroxypropan-2-Yl)-2-Methyloxolan-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]-6-(Hydroxymethyl)Oxa(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,5R)-5-(1-Hydroxy-1-Methylethyl)-2-Methyl-2-Tetrahydrofuranyl]-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]PhenanthrPseudo-Ginsenoside F11_QtPseudo-Ginsenosidert5Pseudo-Ginsenoside F11Pseudo-ginsenosidert5_qtPseudoginsenoside Rt5_QtPseudoginsenoside-RT5三七Panax notoginseng(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-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]-6-(hyd(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-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]-6-meth(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-tetrahydrofuranyl]-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]-6-(hydro(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-oxolan-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]-6-(hydroxymethyl)ox(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxane-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-[(2S,5R)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth(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,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-(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,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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,3S,4R,5R,6R)-6-[[3,12-dihydroxy-17-[(5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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-2-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol(3ss,6a,12ss,24R)-20,24-Epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranoside2-({7,11-dihydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol69884-00-098474-78-3AC1O3DUPAKOS030530367AKOS037514802CS-3844DA-77192DTXSID00275690Dammarane, ss-D-glucopyranoside deriv.GINSENOSIDE A1HMS2205M07HY-N0541HY-N0542MFCD10566641MLS002473294MS-30984Pseudoginsenoside FIIPseudoginsenoside Rt5SMR001397381b-D-Glucopyranoside,(3b,6a,12b,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-ylpseudoginsenoside F11_qtss-D-Glucopyranoside, (3ss,6a,12ss,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-7.止血药(25-26)hemostatic medicinal2.化瘀止血药(5-5)stasis-resolving hemostatic medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
69884-00-098474-78-3
Herb
HBIN006437HBIN006642HBIN041024HBIN041025HBIN041026HBIN041029HBIN041030
Npass
NPC164708
Tcmid
18011
Tcmsp
MOL011437MOL011438MOL011439MOL012677MOL012678MOL012856MOL012857
Sym Map
SMIT12337SMIT12338SMIT12339SMIT13413SMIT13414SMIT13582SMIT13583SMIT17357
Pub Chem
1316761211377955412163307221633075384136044144289713074497375554673816108
Tcmbank
TCMBANKIN003214TCMBANKIN011333TCMBANKIN019313TCMBANKIN025217TCMBANKIN026091TCMBANKIN034702TCMBANKIN053818TCMBANKIN060184
Etcm Ingredient
Pseudo-ginsenoside F11Pseudoginsenoside F11Pseudoginsenoside Rt5Pseudoginsenoside-RT5pseudo-ginsenosideRT5pseudoginsenoside,f11
Itcmdb Generated
ITX-INGREDIENT-34076FDCC86AITX-INGREDIENT-371DDF463685ITX-INGREDIENT-3E41D3B832CCITX-INGREDIENT-6FAC30F00C22ITX-INGREDIENT-AB87CAD4A4F9ITX-INGREDIENT-CDA9BB499A61ITX-INGREDIENT-DAB1AF68BB35ITX-INGREDIENT-ECAB8EFF4818
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
1
In Ch I
InChI=1S/C36H62O10/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8)14-11-24(46-36)32(3,4)43)9-13-34(25,6)35(22,7)16-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3InChI=1S/C36H62O10/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8)14-11-24(46-36)32(3,4)43)9-13-34(25,6)35(22,7)16-20(29(31)33)44-30-28(42)27(41)26(40)21(17-37)45-30/h18-30,37-43H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23-,24+,25-,26+,27-,28+,29-,30+,33+,34+,35+,36-/m0/s1InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36+,39+,40+,41+,42-/m0/s1InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19?,20-,21?,22?,23?,24?,25?,26-,27?,28?,29?,30?,31?,32?,33?,34?,35-,36+,39+,40+,41+,42-/m0/s1
Mol Wt
654.8820000000004654.8820000000005801.0240000000003801.0240000000005
Cas Id
98474-78-3
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@@]2(C([H])([H])[H])O[C@]([H])(C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C([H
])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]6([H])O[H])[C@]([H])(O[C@]([H])(O[C@@]([H])(C([H])([H])[H])[C@]7([H])O[H])
[C@]([H])(O[H])[C@]7([H])O[H])[C@@]6([H])O[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)CCC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O[C@]1([H])(O[H])C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])([C@@]2(C([H])([H])[H])O[C@@]([H])(C(C([H])([H])[H])(O[H])C([H])([H])[H])C([H])([H
])C2([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])[C@]5([H])O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]
([H])(O[H])[C@]([H])(C([H])([H])[H])O7)[C@@]([H])(C([H])([H])O[H])O6)[C@@]5([H])C1(C([H])([H])[H])C([H])([H])[H]
37 Flag
37
C Count
42
Mol Log P
1.3586000000000042.506800000000003
N Count
0
O Count
14
P Count
0
S Count
0
Version
v1v1,v2
In Ch Ikey
JBGYSAVRIDZNKA-NKECSCAMSA-NJBGYSAVRIDZNKA-VUIFLECGSA-NPSOUXXNNRFNUAY-JLXGCTMESA-NPSOUXXNNRFNUAY-UHFFFAOYSA-N
Ob Score
14.07699614.0769964114.07717.67665217.67719.4665952922.76622.76617122.7661713424.55524.55500324.555003485.3819175.3819170525.3829.4439.4433269.44332638
Suppress
0
Tcm Name
三七人参; 竹节三七
Tcm Name2
REN SHEN; ZHU JIE SAN QI
Mol2 Path
/TCM_database/2003_3d_all/7095.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/pseudoginsenoside F11.mol2
Reference
2, 1521, 4610
Num Hdonors
79
Tcm Name En
Ginseng; Japanese GinsengPanax notoginseng
Level1 Name
7.止血药(25-26)
Level2 Name
2.化瘀止血药(5-5)
Num H Donors
9
Drug Likeness
0.1660.219
Num Hacceptors
1014
Level1 Name En
hemostatic medicinal
Level2 Name En
stasis-resolving hemostatic medicinal
Isomeric Smiles
CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)CCC1C(C(C([C@@H](O1)OC2[C@@H](OC(C(C2O)O)CO)OC3C[C@@]4(C(CC(C5[C@]4(CC[C@@H]5[C@@]6(CC[C@H](O6)C(C)(C)O)C)C)O)[C@@]7(C3C(C(CC7)O)(C)C)C)C)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@@]6(CC[C@@H](O6)C(C)(C)O)C)C)O)[C@@]7([C@@H]3C([C@H](CC7)O)(C)C)C)C)CO)O)O)O)O)OC[C@]1(CC[C@@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@H]2[C@@H](C[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C
Molecule Weight
492.82654.98801.14
Num H Acceptors
14
Canonical Smiles
CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)CCC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O
Herb Alias Names
Pseudoginsenoside Rt598474-78-3(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-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]-6-(hydroxymethyl)oxane-3,4,5-triolMFCD10566641pseudo-Ginsenoside RT5HY-N0542AKOS030530367b-D-Glucopyranoside,(3b,6a,12b,24R)-20,24-epoxy-3,12,25-trihydroxydammaran-6-ylDA-77192MS-30984
Molecular Weight
654.430800.490
Molecular Volume
565
Molecular Weight
654.87801801 g/mol801.01
Molecule Formula
C42H72O14
Molecular Formula
C36H62O10C42H72O14
Molecular Formula
C36H62O10C42H72O14
Molecular Formula
C36H62O10C42H72O14
Num Rotatable Bonds
57
Num Rotatable Bonds
7
Molecular Polar Surface Area
228
Fda Maximum Daily Dose (Fdamdd)
0.0360.0890.1000.1620.1940.362
Quantitative Estimate Of Drug Likeness（Qed）
0.1660.219