Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Beta-d-glucopyranoside,2-((benzoyloxy)methyl)-4-hydroxyphenyl

C20H22O9

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 14

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Beta-d-glucopyranoside,2-((benzoyloxy)methyl)-4-hydroxyphenyl
Molecular Formula: C20H22O9
Molecular Weight: No data
Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: C1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI: InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-7-6-13(22)8-12(14)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
Oral Bioavailability: 13.508
Drug Likeness: 0.416
DL Score: No data
Caco-2 Permeability: No data
ALogP: No data
Bioavailability Score: No data

Identifiers

InChI Key: No data
PubChem CID: No data

Description and Extensions

Toxicity Information: No data

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Direct relations and traceable candidates grouped by relation type.

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