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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035852

Epiafzelechin-(4alpha->8)-pelargonidin 3'-glucoside

Formula: C36H33O15+  |  Mol. Weight: 705.60 g/mol

IUPAC: (2R,3R)-4-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-8-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

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Overview

Molecular Formula C36H33O15+
Molecular Weight 705.60 g/mol
Canonical SMILES C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=CC(=C([O+]=C54)C6=CC=C(C=C6)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy