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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024309

Epiafzelechin-(4beta->6)-epicatechin 3,3'-digallate

Formula: C44H34O19  |  Mol. Weight: 866.70 g/mol

IUPAC: [5,7-dihydroxy-2-[4-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxyphenyl]-6-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C44H34O19
Molecular Weight 866.70 g/mol
Canonical SMILES C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy