IngredientID 12

Ginsenoside-rh1

C36H62O9

Relationship Network

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

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Herb: 8Ingredient: 1Meta-analysis: 1Target: 12Links: 21

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 12
Core Entity Id: 128
Source Entity Count: 1
Preferred Name: Ginsenoside-rh1
Name En
Pubchem Id: 124928670
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[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])[C@]4([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]5([H])O[H])[C@@]4([H])C(C([H])([H])[H])(C([H]) ([H])[H])[C@]1([H])O[H]
Molecular Formula: C36H62O9
Molecular Weight: 638.8830
Inchikey: RAQNTCRNSXYLAH-AWJPBMSFSA-N
Inchi: InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3
Isomeric Smiles: CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C
Cas Id: 80952-71-2
Ob Score: 17.7235
Mol Logp: 3.2956
Num H Donors: 7
Num H Acceptors: 9
Num Rotatable Bonds: 7
Drug Likeness: 0.1640
Polar Surface Area: 160.0000
Molecular Volume: 470.0000
Alogp: 3.0000

Names

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

Name

(20R)-Ginsenoside Rh1

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

20(R)-Ginsenoside-Rh1_Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ginsenoside Rh1

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

(20R)-ginsenoside Rh1

Role

preferred

Source

TCMBank

Preferred

Yes

Name

(20R)-ginsenoside Rh1

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

20(R)-Ginsenoside-Rh1

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

20(R)-Ginsenoside-Rh1_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

20(R)-Ginsenoside-Rh1_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

20(S)-Ginsenoside Rh1

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

20(S)-Ginsenoside-Rh1

Role

preferred

Source

TCMBank

Preferred

Yes

Name

20(S)-Ginsenosiderh1

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

20(r)-ginsenoside-rh1

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

20(r)-ginsenoside-rh1

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

20(r)-ginsenoside-rh1_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

20(r)-ginsenoside-rh1_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

20(s)-ginsenoside-rh1

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

20(s)-ginsenoside-rh1

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginsenoside rh1

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginsenoside rh1

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ginsenoside-Rh1

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginsenoside-Rh1

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ginsenoside-Rh1_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ginsenoside-rh1_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ginsenoside-rh1_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

ginsenoside- Rh1

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

ginsenoside-Rh1_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

三七

Role

TCM_name

Source

TCMBank

Preferred

Name

三七;人参 ;西洋参

Role

TCM_name

Source

TCMBank

Preferred

Name

人参

Role

TCM_name

Source

TCMBank

Preferred

Name

西洋蔘

Role

TCM_name

Source

TCMBank

Preferred

Name

REN SHEN

Role

TCM_name2

Source

TCMBank

Preferred

Name

SAN QI

Role

TCM_name2

Source

TCMBank

Preferred

Name

Ginseng

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Panax notoginseng

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Panax quinquefolium L.

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Sanchi

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Sanchi;American Ginseng;Ginseng

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(20R)-Ginsenoside Rh1

Role

alias

Source

HERB_v2

Preferred

Name

(20R)-Ginsenoside Rh1

Role

alias

Source

itcmdb_public

Preferred

Name

(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

Role

alias

Source

itcmdb_public

Preferred

Name

(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]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

Role

alias

Source

HERB_v2

Preferred

Name

Role

alias

Source

TCMBank

Preferred

Name

(2R,3R,4S,5S,6R)-2-{[(1S,3AR,3BR,5S,5AR,7S,9AR,9BR,11R,11AR)-7,11-DIHYDROXY-1-[(2S)-2-HYDROXY-6-METHYLHEPT-5-EN-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

TCMBank

Preferred

Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]oxane-3,4,5-

Role

alias

Source

TCMBank

Preferred

Name

(3beta,6alpha,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl-beta-D-glucopyranoside

Role

alias

Source

TCMBank

Preferred

Name

(R) -ginsenoside Rh1

Role

alias

Source

itcmdb_public

Preferred

Name

(R) -ginsenoside Rh1

Role

alias

Source

HERB_v2

Preferred

Name

2-[[3,12-Dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

HERB_v2

Preferred

Name

2-[[3,12-Dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Role

alias

Source

itcmdb_public

Preferred

Name

20(R)-Ginsenoside-Rh1

Role

alias

Source

TCMBank

Preferred

Name

20(R)-Ginsenoside-Rh1_qt

Role

alias

Source

HERB_v2

Preferred

Name

20(R)-Ginsenoside-Rh1_qt

Role

alias

Source

TCMBank

Preferred

Name

20(R)-ginsenoside Rh1_qt

Role

alias

Source

itcmdb_public

Preferred

Name

20(S)-Ginsenoside Rh1

Role

alias

Source

TCMBank

Preferred

Name

20(S)-Ginsenoside Rh1

Role

alias

Source

HERB_v2

Preferred

Name

20(S)-Ginsenoside Rh1

Role

alias

Source

itcmdb_public

Preferred

Name

63223-86-9

Role

alias

Source

itcmdb_public

Preferred

Name

63223-86-9

Role

alias

Source

HERB_v2

Preferred

Name

63223-86-9

Role

alias

Source

TCMBank

Preferred

Name

80952-71-2

Role

alias

Source

HERB_v2

Preferred

Name

80952-71-2

Role

alias

Source

itcmdb_public

Preferred

Name

A834283

Role

alias

Source

TCMBank

Preferred

Name

AKOS025311542

Role

alias

Source

TCMBank

Preferred

Name

BDBM50023447

Role

alias

Source

TCMBank

Preferred

Name

BIDD:ER0183

Role

alias

Source

TCMBank

Preferred

Name

C36H62O9

Role

alias

Source

TCMBank

Preferred

Name

CHEMBL3594353

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL3594353

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL466844

Role

alias

Source

TCMBank

Preferred

Name

CS-3834

Role

alias

Source

TCMBank

Preferred

Name

EX-A8002R

Role

alias

Source

HERB_v2

Preferred

Name

EX-A8002R

Role

alias

Source

itcmdb_public

Preferred

Name

Ginsenoside Rg1 metabolite

Role

alias

Source

TCMBank

Preferred

Name

Ginsenoside Rh1, analytical standard

Role

alias

Source

TCMBank

Preferred

Name

HY-N0604

Role

alias

Source

TCMBank

Preferred

Name

LS-15386

Role

alias

Source

itcmdb_public

Preferred

Name

LS-15386

Role

alias

Source

HERB_v2

Preferred

Name

MFCD09951797

Role

alias

Source

TCMBank

Preferred

Name

MFCD09951797

Role

alias

Source

HERB_v2

Preferred

Name

MFCD09951797

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD22200424

Role

alias

Source

HERB_v2

Preferred

Name

MFCD22200424

Role

alias

Source

itcmdb_public

Preferred

Name

MolPort-019-999-714

Role

alias

Source

TCMBank

Preferred

Name

O581

Role

alias

Source

TCMBank

Preferred

Name

Prosapogenin A2

Role

alias

Source

HERB_v2

Preferred

Name

Prosapogenin A2

Role

alias

Source

itcmdb_public

Preferred

Name

Q-100729

Role

alias

Source

TCMBank

Preferred

Name

SCHEMBL21297616

Role

alias

Source

itcmdb_public

Preferred

Name

SCHEMBL21297616

Role

alias

Source

HERB_v2

Preferred

Name

SY068757

Role

alias

Source

itcmdb_public

Preferred

Name

SY068757

Role

alias

Source

HERB_v2

Preferred

Name

Sanchinoside B2

Role

alias

Source

itcmdb_public

Preferred

Name

Sanchinoside B2

Role

alias

Source

HERB_v2

Preferred

Name

Sanchinoside Rh1

Role

alias

Source

itcmdb_public

Preferred

Name

Sanchinoside Rh1

Role

alias

Source

HERB_v2

Preferred

Name

XBR6F7G8FU

Role

alias

Source

itcmdb_public

Preferred

Name

XBR6F7G8FU

Role

alias

Source

HERB_v2

Preferred

Name

ZINC49852137

Role

alias

Source

TCMBank

Preferred

Name

ginsenoside rh1

Role

alias

Source

TCMBank

Preferred

Name

ginsenoside- Rh1_qt

Role

alias

Source

TCMBank

Preferred

Name

ginsenoside- Rh1_qt

Role

alias

Source

itcmdb_public

Preferred

Name

ginsenoside- Rh1_qt

Role

alias

Source

HERB_v2

Preferred

Name

ginsenoside-Rh1

Role

alias

Source

HERB_v2

Preferred

Name

ginsenoside-Rh1

Role

alias

Source

itcmdb_public

Preferred

Name

13.补虚药(60-62)

Role

level1_name

Source

TCMBank

Preferred

Name

7.止血药(25-26)

Role

level1_name

Source

TCMBank

Preferred

Name

hemostatic medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

tonifying and replenishing medicinal

Role

level1_name_en

Source

TCMBank

Preferred

Name

1.补气药(15-15)

Role

level2_name

Source

TCMBank

Preferred

Name

2.化瘀止血药(5-5)

Role

level2_name

Source

TCMBank

Preferred

Name

qi-tonifying medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Name

stasis-resolving hemostatic medicinal

Role

level2_name_en

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

(20R)-Ginsenoside Rh120(R)-Ginsenoside-Rh1_QtGinsenoside Rh120(R)-Ginsenoside-Rh120(S)-Ginsenoside Rh120(S)-Ginsenoside-Rh120(S)-Ginsenosiderh1Ginsenoside-Rh1_Qtginsenoside- Rh1三七三七;人参 ;西洋参人参西洋蔘REN SHENSAN QIGinsengPanax notoginsengPanax quinquefolium L.SanchiSanchi;American Ginseng;Ginseng(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol(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]-6-(hydroxymethyl)oxane-3,4,5-triol(2R,3R,4S,5S,6R)-2-{[(1S,3AR,3BR,5S,5AR,7S,9AR,9BR,11R,11AR)-7,11-DIHYDROXY-1-[(2S)-2-HYDROXY-6-METHYLHEPT-5-EN-2-YL]-3A,3B,6,6,9A-PENTAMETHYL-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-5-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]oxane-3,4,5-(3beta,6alpha,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl-beta-D-glucopyranoside(R) -ginsenoside Rh12-[[3,12-Dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol20(R)-ginsenoside Rh1_qt63223-86-980952-71-2A834283AKOS025311542BDBM50023447BIDD:ER0183C36H62O9CHEMBL3594353CHEMBL466844CS-3834EX-A8002RGinsenoside Rg1 metaboliteGinsenoside Rh1, analytical standardHY-N0604LS-15386MFCD09951797MFCD22200424MolPort-019-999-714O581Prosapogenin A2Q-100729SCHEMBL21297616SY068757Sanchinoside B2Sanchinoside Rh1XBR6F7G8FUZINC49852137ginsenoside- Rh1_qt13.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

63223-86-980952-71-2

Herb

HBIN003460HBIN003461HBIN003462HBIN003505HBIN027761HBIN027762HBIN027763

Npass

NPC129372NPC47566

Tcmid

25706257073104039353411194280084338434

Tcmsp

MOL005279MOL005280MOL005281MOL007484MOL011407MOL011408MOL011451MOL011452

Sym Map

SMIT07062SMIT07063SMIT07064SMIT08910SMIT12315SMIT12316SMIT12348SMIT12349SMIT15576SMIT15577SMIT18940SMIT18941SMIT19216SMIT19726SMIT24138

Tcm Id

105041141311414119801616418238211808777

Pub Chem

12492867012855917128559201377049422159992345358174

Tcmbank

TCMBANKIN007012TCMBANKIN010133TCMBANKIN013679TCMBANKIN033179TCMBANKIN038292TCMBANKIN039185TCMBANKIN055967TCMBANKIN058857

Etcm Ingredient

(20R)-ginsenoside Rh120(R)-Ginsenoside Rh120(R)-Ginsenoside-Rh120(S)-Ginsenoside Rh1ginsenoside- Rh1

Itcmdb Generated

ITX-INGREDIENT-1BF937B01497ITX-INGREDIENT-20D18B39626FITX-INGREDIENT-32C71D5943DFITX-INGREDIENT-3AEBDA35C91CITX-INGREDIENT-467D780A5595ITX-INGREDIENT-47F5862B8248ITX-INGREDIENT-566C5C051BB8ITX-INGREDIENT-5B6090F9ED1EITX-INGREDIENT-BF71EF3702E4ITX-INGREDIENT-D3D7637648F1ITX-INGREDIENT-E32A2F303454

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredientsOther ingredients

Alog P

In Ch I

InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1

Mol Wt

638.8830000000005

Cas Id

80952-71-2

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[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])[C@]4([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]5([H])O[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[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])C2([H])[H])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]4([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]5([H])O[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])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])(O[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])[C@]4([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]5([H])O[H])[C@]([H])(O[H])[C@@]5([H])O[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])[C@@]4([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@@]4([H])C(C([H])([H])[H])(C([H ])([H])[H])[C@]1([H])O[H]CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C

37 Flag

C Count

Mol Log P

3.295600000000003

N Count

O Count

P Count

S Count

Version

v1,v2v2

In Ch Ikey

RAQNTCRNSXYLAH-AWJPBMSFSA-NRAQNTCRNSXYLAH-PQYWRUIPSA-NRAQNTCRNSXYLAH-RFCGZQMISA-NRAQNTCRNSXYLAH-UHFFFAOYSA-N

Ob Score

17.7235208317.72420.12720.12704420.127044183.8589219973.858921997;16.907912833.8589223.9423.9422485318.3828.3821618.382161033

Suppress

Tcm Name

三七三七;人参 ;西洋参人参西洋蔘

Tcm Name2

REN SHENSAN QI

Mol2 Path

/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/西洋蔘/structure/(20R)-ginsenoside Rh1.mol2/TCM_database/2003_3d_all/3374.mol2/TCM_database/2003_3d_all/3376.mol2/TCM_database/2007_3d_all/08435.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/ginsenoside Rh1.mol2

Reference

22, 28, 872, 28, 87, 4702

Num Hdonors

Tcm Name En

GinsengPanax notoginsengPanax quinquefolium L.SanchiSanchi;American Ginseng;Ginseng

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

Drug Likeness

0.164

Num Hacceptors

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(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)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)O)C)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)O)C)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)O)C)O)C

Molecule Weight

476.82638.98

Num H Acceptors

Canonical Smiles

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C

Herb Alias Names

(20R)-Ginsenoside Rh180952-71-220(R)-Ginsenoside Rh120(R)--Ginsenoside rh1(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-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]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol(R) -ginsenoside Rh1MFCD22200424(R)Ginsenoside-Rh1CHEMBL3594353EX-A8002R

Molecular Weight

622.440638.440

Molecular Volume

470471

Molecular Weight

638.87638.87g/mol639

Molecule Formula

C36H62O9

Molecular Formula

C36H62O8C36H62O9

Molecular Formula

C36H62O9

Molecular Formula

C36H62O9

Num Rotatable Bonds

Link Ingredient Id

12348.07062.07064.0

Num Rotatable Bonds

Molecular Polar Surface Area

160

Fda Maximum Daily Dose (Fdamdd)

0.0340.1150.1920.209

Quantitative Estimate Of Drug Likeness（Qed）

0.1640.182