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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024160

Peonidin 3-(6''-p-coumaroyl-glucoside) 5-glucoside

Formula: C38H41O17+  |  Mol. Weight: 769.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[5-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-7-hydroxy-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 C38H41O17+
Molecular Weight 769.70 g/mol
Canonical SMILES CC1C(C(C(OC1OC2=CC(=CC3=[O+]C(=C(C=C23)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)OC)O)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy