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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002523

3-[[6-O-(2-Carboxyacetyl)-3-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl]oxy]-2-[4-(I(2)-D-glucopyranosyloxy)-3-hydroxyphenyl]-5,7-dihydroxy-1-benzopyrylium

Formula: C36H43O24+  |  Mol. Weight: 859.70 g/mol

IUPAC: 3-[[(2R,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3-yl]oxy-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Overview

Molecular Formula C36H43O24+
Molecular Weight 859.70 g/mol
Canonical SMILES C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy