Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40397
- Core Entity Id
- 83408
- Source Entity Count
- 1
- Preferred Name
- 3-O-Β-Abritetraosyl Soyasapogenol B
- Name En
- Pubchem Id
- Smiles Canonical
- CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
- Molecular Formula
- C36H57O9-
- Molecular Weight
- 633.4008
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6939
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 159.7400
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-O-Β-Abritetraosyl Soyasapogenol B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-O-β-abritetraosyl soyasapogenol B
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21265
Tcmbank
TCMBANKIN000891
Itcmdb Generated
ITX-INGREDIENT-3ABC18FD9EAC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)[O-])O)O)O)C)C
Version
v2
Suppress
0
Molecular Formula
C36H57O9-