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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007942

(3,4-Dihydroxyphenyl)[2,4,6-trihydroxy-3-[2-O-(4-hydroxybenzoyl)-6-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]phenyl]methanone

Formula: C33H28O17  |  Mol. Weight: 696.60 g/mol

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

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Overview

Molecular Formula C33H28O17
Molecular Weight 696.60 g/mol
Canonical SMILES C1=CC(=CC=C1C(=O)OC2C(C(C(OC2C3=C(C(=C(C=C3O)O)C(=O)C4=CC(=C(C=C4)O)O)O)COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy