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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020170

2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione

Formula: C36H30O14  |  Mol. Weight: 686.60 g/mol

IUPAC: 2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione

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Overview

Molecular Formula C36H30O14
Molecular Weight 686.60 g/mol
Canonical SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)C5=C(C6=C(C=C5)C(=O)C7=C(C6=O)C(=CC(=C7)CO)O)O)C=C(C=C3O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy