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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027062

(1aR,7aR)-7a-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]-4,6-dihydroxy-1a-(4-hydroxyphenyl)oxireno[2,3-b]chromen-7-one

Formula: C36H28O17  |  Mol. Weight: 732.60 g/mol

IUPAC: (1aR,7aR)-7a-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-8-yl]-4,6-dihydroxy-1a-(4-hydroxyphenyl)oxireno[2,3-b]chromen-7-one

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Overview

Molecular Formula C36H28O17
Molecular Weight 732.60 g/mol
Canonical SMILES C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)C45C(=O)C6=C(C=C(C=C6OC4(O5)C7=CC=C(C=C7)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy