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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023866

3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)chromenylium-5,7-diol

Formula: C28H33O14+  |  Mol. Weight: 593.60 g/mol

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

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Overview

Molecular Formula C28H33O14+
Molecular Weight 593.60 g/mol
Canonical SMILES CC1C(C(C(OC1OC2C(C(C(OC2OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC=C(C=C5)O)O)O)CO)O)O)CO)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy