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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036012

Cyanidin 3-xylosyl-rutinoside

Formula: C32H39O19+  |  Mol. Weight: 727.60 g/mol

IUPAC: (2R,3S,4S,5R,6S)-2-[[(2R,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C32H39O19+
Molecular Weight 727.60 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)OC6C(C(C(O6)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy