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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019197

I(2)-D-Glucopyranoside, methyl, 4,6-bis(3,4,5-trihydroxybenzoate)

Formula: C21H22O14  |  Mol. Weight: 498.40 g/mol

IUPAC: [(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C21H22O14
Molecular Weight 498.40 g/mol
Canonical SMILES COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy