IngredientID 65362
(2alpha,3alpha)-3-{[4-o-(beta-d-glucopyranosyl)-beta-d-xylopyranosyl]oxy}-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-oic,acid
C42H66O16
Relationship Network
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Herb: 2Ingredient: 1Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65362
- Core Entity Id
- 128011
- Source Entity Count
- 1
- Preferred Name
- (2alpha,3alpha)-3-{[4-o-(beta-d-glucopyranosyl)-beta-d-xylopyranosyl]oxy}-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-oic,acid
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C42H66O16
- Molecular Weight
- 826.4400
- 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
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2alpha,3alpha)-3-{[4-o-(beta-d-glucopyranosyl)-beta-d-xylopyranosyl]oxy}-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-oic,acid
Itcmdb Generated
ITX-INGREDIENT-C02C9DA759C5
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
826.440
Molecular Formula
C42H66O16
Fda Maximum Daily Dose (Fdamdd)
0.266
Quantitative Estimate Of Drug Likeness（Qed）
0.092