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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035772

(-)-Epicatechin-(2a-7)(4a-8)-epicatechin 3-O-galactoside

Formula: C36H34O15  |  Mol. Weight: 706.60 g/mol

IUPAC: (2R,3R,4S,5R,6R)-2-[[(1R,5S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-17,19-dihydroxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C36H34O15
Molecular Weight 706.60 g/mol
Canonical SMILES C1CC2=C(C3=C(C=C2)OC4(C(C3C5=C(C=C(C=C5O4)O)O)OC6C(C(C(C(O6)CO)O)O)O)C7=CC(=C(C=C7)O)O)OC1C8=CC(=C(C=C8)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy