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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008231

(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C27H31O15+  |  Mol. Weight: 595.50 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C27H31O15+
Molecular Weight 595.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=[O+]C3=C(C=C2)C(=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy