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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038497

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

Formula: C41H54O23  |  Mol. Weight: 914.90 g/mol

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

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Overview

Molecular Formula C41H54O23
Molecular Weight 914.90 g/mol
Canonical SMILES C1C(C(C(C(C1OC2C(OC(C(C2O)O)C3=C(C(=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)O)C6C(C(C(C(O6)CO)OC7CC(C(C(C7O)O)O)CO)O)O)O)CO)O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy