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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036087

Pelargonidin 3-O-sambubioside

Formula: C26H29O14+  |  Mol. Weight: 565.50 g/mol

IUPAC: (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

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Overview

Molecular Formula C26H29O14+
Molecular Weight 565.50 g/mol
Canonical SMILES C1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy