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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035844

Cyanidin 7-(3-glucosyl-6-malonylglucoside) 4'-glucoside

Formula: C38H47O22+  |  Mol. Weight: 855.80 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-7-yl]oxy-3,5-dihydroxy-6-(4-hydroxypenta-1,4-dien-2-yloxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C38H47O22+
Molecular Weight 855.80 g/mol
Canonical SMILES C=C(CC(=C)OCC1C(C(C(C(O1)OC2=CC(=C3C=C(C(=[O+]C3=C2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy