IngredientID 50999
3-O-[α-L-Rhamnopyranosyl-(1→3)-β-D-glucuronopyranosyl]-28-O-(β-D-glucopyranosyl)-3β-hydroxyolean-12-en-28-oate
C48H76O19
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50999
- Core Entity Id
- 94010
- Source Entity Count
- 1
- Preferred Name
- 3-O-[α-L-Rhamnopyranosyl-(1→3)-β-D-glucuronopyranosyl]-28-O-(β-D-glucopyranosyl)-3β-hydroxyolean-12-en-28-oate
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C48H76O19
- Molecular Weight
- 956.5000
- 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
3-O-[α-L-Rhamnopyranosyl-(1→3)-β-D-glucuronopyranosyl]-28-O-(β-D-glucopyranosyl)-3β-hydroxyolean-12-en-28-oate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-O-[α-L-Rhamnopyranosyl-(1→3)-β-D-glucuronopyranosyl]-28-O-(β-D-glucopyranosyl)-3β-hydroxyolean-12-en-28-oate
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN036470
Etcm Ingredient
3-O-[α-L-Rhamnopyranosyl-(1→3)-β-D-glucuronopyranosyl]-28-O-(β-D-glucopyranosyl)-3β-hydroxyolean-12-en-28-oate
Itcmdb Generated
ITX-INGREDIENT-90D908C2C943ITX-INGREDIENT-AABFEA119F08
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
九层风
Tcm Name2
JIU CENG FENG
Mol2 Path
/TCM_database/2007_3d_all/18722.mol2
Reference
660
Molecular Weight
956.500
Molecular Formula
C48H76O19
Fda Maximum Daily Dose (Fdamdd)
0.977
Quantitative Estimate Of Drug Likeness（Qed）
0.088