IngredientID 4813
3-o-alpha-(3',4'-o-dioic-acetyl)-l-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-o-[alpha-l-rhamnopyranosyl-(1-6)-beta-d-glycopyranosyl-(1-4)-beta-d-glycopyranosyl] ester
C57H88O25
Relationship Network
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Herb: 3Ingredient: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4813
- Core Entity Id
- 8541
- Source Entity Count
- 1
- Preferred Name
- 3-o-alpha-(3',4'-o-dioic-acetyl)-l-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-o-[alpha-l-rhamnopyranosyl-(1-6)-beta-d-glycopyranosyl-(1-4)-beta-d-glycopyranosyl] ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C57H88O25
- Molecular Weight
- 1172.5600
- 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-alpha-(3',4'-O-Dioic-acetyl)-L-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-O-[alpha-L-rhamnopyranosyl-(1-6)-beta-D-glycopyranosyl-(1-4)-beta-D-glycopyranosyl] ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-alpha-(3',4'-o-dioic-acetyl)-l-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-o-[alpha-l-rhamnopyranosyl-(1-6)-beta-d-glycopyranosyl-(1-4)-beta-d-glycopyranosyl] ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-o-alpha-(3',4'-o-dioic-acetyl)-l-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-o-[alpha-l-rhamnopyranosyl-(1-6)-beta-d-glycopyranosyl-(1-4)-beta-d-glycopyranosyl] ester
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-o-alpha-(3',4'-o-dioic-acetyl)-l-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-o-[alpha-l-rhamnopyranosyl-(1-6)-beta-d-glycopyranosyl-(1-4)-beta-d-glycopyranosyl] ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009053
Tcmid
25833
Tcmbank
TCMBANKIN049045
Etcm Ingredient
3-O-alpha-(3',4'-O-Dioic-acetyl)-L-arabino-pyranosyl-3beta-hydroxylean-12-ene-28,29-dioic acid-28-O-[alpha-L-rhamnopyranosyl-(1-6)-beta-D-glycopyranosyl-(1-4)-beta-D-glycopyranosyl] ester
Itcmdb Generated
ITX-INGREDIENT-961D0F56581D
Attributes
Merged source attributes and domain-specific metadata.
Mol2 Path
/TCM_database/2003_3d_all/2547.mol2
Reference
187
Molecular Weight
1172.560
Molecular Formula
C57H88O25
Molecular Formula
C57H88O25
Molecular Formula
C57H88O25
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.049