ITCMDBv1
IngredientID 45946

Sarsasapogenin

C27H44O3

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Relationship Network

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

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Herb: 4Ingredient: 1Links: 4
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
45946
Core Entity Id
88957
Source Entity Count
1
Preferred Name
Sarsasapogenin
Name En
Pubchem Id
162922791
Smiles Canonical
C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Molecular Formula
C27H44O3
Molecular Weight
417.0000
Inchikey
GMBQZIIUCVWOCD-WGKVZVFBSA-N
Inchi
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22+,23-,24-,25+,26-,27+/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
5.0000
Num H Donors
1
Num H Acceptors
3
Num Rotatable Bonds
0
Drug Likeness
Polar Surface Area
39.0000
Molecular Volume
313.0000
Alogp
5.0000

Names

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

Name
Sarsasapogenin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sarsasapogenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sarsasapogenin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
知母
Role
TCM_name
Source
TCMBank
Preferred
No
Name
知母; 天门冬
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHI MU; TIAN MEN DONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Anemarrhena asphodeloides
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Common Anemarrhena; Cochinchinese Asparagus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.清热泻火药(13-13)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and fire-purging medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

知母知母; 天门冬ZHI MU; TIAN MEN DONGAnemarrhena asphodeloidesCommon Anemarrhena; Cochinchinese Asparagus2.清热药(64-64)heat-clearing medicinal1.清热泻火药(13-13)heat-clearing and fire-purging medicinal

Cross References

Trusted external identifiers retained for this final record.

Sym Map
SMIT26663
Tcmbank
TCMBANKIN020055TCMBANKIN051794
Itcmdb Generated
ITX-INGREDIENT-55CC7BF5EDD4ITX-INGREDIENT-B4D0C6BCFCF9ITX-INGREDIENT-C16CF126B63D

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
5
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]2([H])[C@@]([H])(O[C@@]3(OC([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]2([H])C ([H])([H])[H])C4([H])[H])[C@]45[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6([H])C([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])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])[C@@]2(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([H])C([H])([H]) O2)O3)[C@]3([H])C4([H])[H])[C@]45[H])[C@@]5([H])C([H])([H])C6([H])[H])[C@@]6([H])C([H])([H])[C@@]1([H])O[H]
37 Flag
37
C Count
27
N Count
0
O Count
3
P Count
0
S Count
0
Version
v2
Suppress
0
Tcm Name
知母知母; 天门冬
Tcm Name2
ZHI MU; TIAN MEN DONG
Mol2 Path
/TCM_database/2.清热药(64-64)/1.清热泻火药(13-13)/知母/structure/sarsasapogenin.mol2/TCM_database/2003_3d_all/7538.mol2
Reference
2, 658, 5508
Tcm Name En
Anemarrhena asphodeloidesCommon Anemarrhena; Cochinchinese Asparagus
Level1 Name
2.清热药(64-64)
Level2 Name
1.清热泻火药(13-13)
Num H Donors
1
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and fire-purging medicinal
Num H Acceptors
3
Molecular Volume
313
Molecular Weight
417
Molecular Formula
C27H44O3
Num Rotatable Bonds
0
Molecular Polar Surface Area
39