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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038519

8-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-8-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Formula: C43H40O20  |  Mol. Weight: 876.80 g/mol

IUPAC: 8-[[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-8-yl]methyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2R,3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

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Overview

Molecular Formula C43H40O20
Molecular Weight 876.80 g/mol
Canonical SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)CC5=C(C(=C(C6=C5OC(=CC6=O)C7=CC=C(C=C7)O)O)C8C(C(C(C(O8)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy