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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033551

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

Formula: C27H31O16+  |  Mol. Weight: 611.50 g/mol

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

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Overview

Molecular Formula C27H31O16+
Molecular Weight 611.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)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