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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038518

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

Formula: C45H44O18  |  Mol. Weight: 872.80 g/mol

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

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Overview

Molecular Formula C45H44O18
Molecular Weight 872.80 g/mol
Canonical SMILES C1C(C(C(C(C1C2=C(C3=C(C=C2O)OC(=C(C3=O)CC4=C(C(=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)C7CC(C(C(C7O)O)O)CO)O)C8=CC=C(C=C8)O)O)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy