BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036040

Malvidin 3-chlorogenic acid glucoside

Formula: C41H43O18+  |  Mol. Weight: 823.80 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 (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

3D View Find Similar

Overview

Molecular Formula C41H43O18+
Molecular Weight 823.80 g/mol
Canonical SMILES CC1=C(C=C(C=C1OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)C5(CC(C(C(C5)OC(=O)C=CC6=CC(=C(C=C6)O)O)O)O)O)O)O)O)O)O)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy