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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016742

Gallocatechin-(4alpha->8)-epicatechin

Formula: C30H26O13  |  Mol. Weight: 594.50 g/mol

IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

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Overview

Molecular Formula C30H26O13
Molecular Weight 594.50 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy