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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035769

Peonidin 3-(6''-p-coumaroyl-glucoside)

Formula: C31H29O13+  |  Mol. Weight: 609.60 g/mol

IUPAC: [(2R,3S,4S,5R)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C31H29O13+
Molecular Weight 609.60 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy