IngredientID 17866

Ecliptasaponin

C30H48O4

Relationship Network

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Herb: 7Ingredient: 1Target: 8Links: 15

Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 17866
Core Entity Id: 23032
Source Entity Count: 1
Preferred Name: Ecliptasaponin
Name En
Pubchem Id: 101243987
Smiles Canonical: C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[H])=O)[C@]([H])(O[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])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])C([H])([H])O[H] )O6
Molecular Formula: C30H48O4
Molecular Weight: 472.7100
Inchikey: WYDPEADEZMZKNM-RLYNJOFXSA-N
Inchi: InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27+,28-,29-,30-/m1/s1
Isomeric Smiles: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O
Cas Id: 510-30-5
Ob Score: 15.5758
Mol Logp: 4.0286
Num H Donors: 3
Num H Acceptors: 3
Num Rotatable Bonds: 1
Drug Likeness: 0.1990
Polar Surface Area: 78.0000
Molecular Volume: 363.0000
Alogp: 5.0000

Names

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

Name

Echinocystic Acid

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin A_Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin D_Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin_Qt

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Echinocystic Acid

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Echinocystic acid

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Echinocystic acid

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Echinocystic acid

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Eclalbasaponin ii

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Eclalbasaponin ii

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecliptasaponin

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ecliptasaponin

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecliptasaponin

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecliptasaponin

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecliptasaponin A

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Ecliptasaponin A

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin A

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecliptasaponin A_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin A_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecliptasaponin D_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin D_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecliptasaponin a

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecliptasaponin a

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecliptasaponin a_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecliptasaponin a_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecliptasaponin d_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecliptasaponin d_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Ecliptasaponin_Qt

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Ecliptasaponin_qt

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Ecliptasaponin_qt

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Ecliptasaponin_qt

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

echinocystic acid

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

eclalbasaponin ii

Role

preferred

Source

TCMBank

Preferred

Yes

Name

墨旱莲

Role

TCM_name

Source

TCMBank

Preferred

Name

皂荚

Role

TCM_name

Source

TCMBank

Preferred

Name

MO HAN LIAN

Role

TCM_name2

Source

TCMBank

Preferred

Name

ZAO JIA

Role

TCM_name2

Source

TCMBank

Preferred

Name

Chinese Honeylocust

Role

TCM_name_en

Source

TCMBank

Preferred

Name

Yerbadetajo

Role

TCM_name_en

Source

TCMBank

Preferred

Name

(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Role

alias

Source

HERB_v2

Preferred

Name

(4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

(4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Role

alias

Source

HERB_v2

Preferred

Name

510-30-5

Role

alias

Source

itcmdb_public

Preferred

Name

510-30-5

Role

alias

Source

HERB_v2

Preferred

Name

78285-90-2

Role

alias

Source

itcmdb_public

Preferred

Name

78285-90-2

Role

alias

Source

HERB_v2

Preferred

Name

BDBM50434805

Role

alias

Source

itcmdb_public

Preferred

Name

BDBM50434805

Role

alias

Source

HERB_v2

Preferred

Name

CHEBI:4747

Role

alias

Source

itcmdb_public

Preferred

Name

CHEBI:4747

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL230128

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL230128

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL3343916

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL3343916

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL444179

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL444179

Role

alias

Source

HERB_v2

Preferred

Name

CHEMBL464557

Role

alias

Source

itcmdb_public

Preferred

Name

CHEMBL464557

Role

alias

Source

HERB_v2

Preferred

Name

DTXSID10999638

Role

alias

Source

itcmdb_public

Preferred

Name

DTXSID10999638

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 208-112-3

Role

alias

Source

HERB_v2

Preferred

Name

EINECS 208-112-3

Role

alias

Source

itcmdb_public

Preferred

Name

Echinocystic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Echinocystic acid

Role

alias

Source

HERB_v2

Preferred

Name

Echinocystic acid 3-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Echinocystic acid 3-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Echinocystic acid-3-o-glucoside

Role

alias

Source

HERB_v2

Preferred

Name

Echinocystic acid-3-o-glucoside

Role

alias

Source

itcmdb_public

Preferred

Name

Eclalbasaponin II

Role

alias

Source

itcmdb_public

Preferred

Name

Eclalbasaponin II

Role

alias

Source

HERB_v2

Preferred

Name

Ecliptasaponin A

Role

alias

Source

itcmdb_public

Preferred

Name

Ecliptasaponin A

Role

alias

Source

HERB_v2

Preferred

Name

L4DUW10YOF

Role

alias

Source

itcmdb_public

Preferred

Name

L4DUW10YOF

Role

alias

Source

HERB_v2

Preferred

Name

MFCD00017386

Role

alias

Source

itcmdb_public

Preferred

Name

MFCD00017386

Role

alias

Source

HERB_v2

Preferred

Name

OLEAN-12-EN-28-OIC ACID, 3,16-DIHYDROXY-, (3.BETA.,16.ALPHA.)-

Role

alias

Source

HERB_v2

Preferred

Name

OLEAN-12-EN-28-OIC ACID, 3,16-DIHYDROXY-, (3.BETA.,16.ALPHA.)-

Role

alias

Source

itcmdb_public

Preferred

Name

OLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-

Role

alias

Source

itcmdb_public

Preferred

Name

OLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-

Role

alias

Source

HERB_v2

Preferred

Name

UNII-L4DUW10YOF

Role

alias

Source

HERB_v2

Preferred

Name

UNII-L4DUW10YOF

Role

alias

Source

itcmdb_public

Preferred

Name

YKOPWPOFWMYZJZ-RQDPUMMDSA-N

Role

alias

Source

itcmdb_public

Preferred

Name

YKOPWPOFWMYZJZ-RQDPUMMDSA-N

Role

alias

Source

HERB_v2

Preferred

Name

aster saponin D_qt

Role

alias

Source

TCMBank

Preferred

Name

aster saponin F_qt

Role

alias

Source

TCMBank

Preferred

Name

echinocysticacid

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

Echinocystic AcidEcliptasaponin A_QtEcliptasaponin D_QtEcliptasaponin_QtEclalbasaponin iiEcliptasaponin A墨旱莲皂荚MO HAN LIANZAO JIAChinese HoneylocustYerbadetajo(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid(4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid510-30-578285-90-2BDBM50434805CHEBI:4747CHEMBL230128CHEMBL3343916CHEMBL444179CHEMBL464557DTXSID10999638EINECS 208-112-3Echinocystic acid 3-glucosideEchinocystic acid-3-o-glucosideL4DUW10YOFMFCD00017386OLEAN-12-EN-28-OIC ACID, 3,16-DIHYDROXY-, (3.BETA.,16.ALPHA.)-OLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-UNII-L4DUW10YOFYKOPWPOFWMYZJZ-RQDPUMMDSA-Naster saponin D_qtaster saponin F_qtechinocysticacid

Cross References

Trusted external identifiers retained for this final record.

Cas

206756-04-9510-30-578285-90-2

Herb

HBIN024801HBIN024826HBIN024841HBIN024842HBIN024843HBIN024848HBIN024849

Npass

NPC149172NPC228784NPC31839NPC62334

Tcmid

23523668867046706

Tcmsp

MOL003383MOL003384MOL003385MOL003386MOL003396MOL003400MOL003401

Sym Map

SMIT05463SMIT05464SMIT05465SMIT05466SMIT05474SMIT05478SMIT05479SMIT15222SMIT15224

Tcm Id

2247946834693

Pub Chem

10124398711832821312931689813770472613811345514615905129927648393996844584168453581264764864765376708654690506897330993519987

Tcmbank

TCMBANKIN015239TCMBANKIN015611TCMBANKIN018477TCMBANKIN021028TCMBANKIN029878TCMBANKIN043285TCMBANKIN055833TCMBANKIN059593

Etcm Ingredient

EcliptasaponinEcliptasaponin Aechinocystic acid

Itcmdb Generated

ITX-INGREDIENT-08901D947909ITX-INGREDIENT-0AA123E26989ITX-INGREDIENT-33ABE8789C5EITX-INGREDIENT-8EE047DFA605

Attributes

Merged source attributes and domain-specific metadata.

Type

Blood ingredientsOther ingredients

Alog P

In Ch I

InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27+,28-,29-,30-/m1/s1InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22-,23-,27+,28-,29-,30-/m1/s1InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22+,23-,27+,28-,29-,30-/m1/s1InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21-,22+,23-,24-,25+,26-,27+,28-,29+,33+,34-,35-,36-/m1/s1

Mol Wt

472.7100000000003634.8510000000006

Cas Id

510-30-5

Smiles

C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])=C([C@@]([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]2(C(O[H])=O)[C@]([H])(O[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])([C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])C([H])([H])O[H] )O6CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)CCC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2OC6C(C(C(C(O6)CO)O)O)O)C)C)(C)C)OC7C(C(C(C(O7)CO)O)O)O)C)C(=O)O)C

37 Flag

C Count

Mol Log P

4.0286000000000056.204400000000008

N Count

O Count

P Count

S Count

Version

v1,v2

In Ch Ikey

WYDPEADEZMZKNM-RLYNJOFXSA-NWYDPEADEZMZKNM-ZBKPBKBGSA-NYKOPWPOFWMYZJZ-JFGNNTLKSA-NYKOPWPOFWMYZJZ-NERPFUBQSA-NYKOPWPOFWMYZJZ-PRIAQAIDSA-NYKOPWPOFWMYZJZ-RQDPUMMDSA-N

Ob Score

15.57578715.5757870215.57616.42616.42630916.4263094517.47317.4731015117.47310217.71617.7161765717.71617724.4337429124.43374324.4348.6163438.6163434158.616343415;5.810185524

Suppress

Tcm Name

墨旱莲皂荚

Tcm Name2

MO HAN LIANZAO JIA

Mol2 Path

/TCM_database/2003_3d_all/2664.mol2/TCM_database/2007_3d_all/06689.mol2

Reference

3495015, 5508

Num Hdonors

Tcm Name En

Chinese HoneylocustYerbadetajo

Num H Donors

Drug Likeness

0.1990.397

Num Hacceptors

Isomeric Smiles

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)OC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)OC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)OC[C@]12CC[C@@H](C([C@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)OC[C@]12CC[C@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O

Molecule Weight

472.78634.94

Num H Acceptors

Canonical Smiles

CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)CCC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C

Herb Alias Names

510-30-5UNII-L4DUW10YOFL4DUW10YOFCHEBI:4747EINECS 208-112-3CHEMBL230128(4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidOLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-OLEAN-12-EN-28-OIC ACID, 3,16-DIHYDROXY-, (3.BETA.,16.ALPHA.)-

Molecular Weight

472.360634.410

Molecular Volume

363

Molecular Weight

473634.84

Molecule Formula

C36H58O8C36H58O9

Molecular Formula

C30H48O4C36H58O9

Molecular Formula

C36H58O9

Molecular Formula

C30H48O4C36H58O9

Num Rotatable Bonds

Link Ingredient Id

5478.0

Num Rotatable Bonds

Molecular Polar Surface Area

Fda Maximum Daily Dose (Fdamdd)

0.4800.7220.987

Quantitative Estimate Of Drug Likeness（Qed）

0.1990.397