IngredientID 44950
(22S)-Cholest-5-ene-3β,11α,16β,22-tetrol 16-O-(2,3-di-O-acetyl-α-L-rhamnopyranoside)
C37H60O10
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 44950
- Core Entity Id
- 87961
- Source Entity Count
- 1
- Preferred Name
- (22S)-Cholest-5-ene-3β,11α,16β,22-tetrol 16-O-(2,3-di-O-acetyl-α-L-rhamnopyranoside)
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C37H60O10
- Molecular Weight
- 664.4200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(22S)-Cholest-5-ene-3β,11α,16β,22-tetrol 16-O-(2,3-di-O-acetyl-α-L-rhamnopyranoside)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(22S)-Cholest-5-ene-3β,11α,16β,22-tetrol 16-O-(2,3-di-O-acetyl-α-L-rhamnopyranoside)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN016789
Etcm Ingredient
(22S)-Cholest-5-ene-3β,11α,16β,22-tetrol 16-O-(2,3-di-O-acetyl-α-L-rhamnopyranoside)
Itcmdb Generated
ITX-INGREDIENT-64FE675AD7CEITX-INGREDIENT-EBEADC31CB27
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
伯利恒之星
Tcm Name2
Ornithogalum saundersiae
Mol2 Path
/TCM_database/2007_3d_all/03582.mol2
Reference
2364
Molecular Weight
664.420
Molecular Formula
C37H60O10
Fda Maximum Daily Dose (Fdamdd)
0.240
Quantitative Estimate Of Drug Likeness（Qed）
0.208