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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036053

Cyanidin 3-(sinapoyl-xylosyl-glucosyl)-galactoside

Formula: C43H49O24+  |  Mol. Weight: 949.80 g/mol

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

Overview

Molecular Formula C43H49O24+
Molecular Weight 949.80 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OC5=CC6=C(C=C(C=C6[O+]=C5C7=CC(=C(C=C7)O)O)O)O)O)O)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy