BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036039

Malvidin 3-caffeoyl-glucoside

Formula: C34H33O13+  |  Mol. Weight: 649.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[2-(3-ethenyl-5-methoxy-4-methylphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

3D View Find Similar

Overview

Molecular Formula C34H33O13+
Molecular Weight 649.60 g/mol
Canonical SMILES CC1=C(C=C(C=C1OC)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)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy