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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012829

2-(1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

Formula: C36H28O13  |  Mol. Weight: 668.60 g/mol

IUPAC: 2-(1,8-dihydroxy-6-methyl-9,10-dioxoanthracen-2-yl)-1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione

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Overview

Molecular Formula C36H28O13
Molecular Weight 668.60 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4C)C(=O)C6=C(C5=O)C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy