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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007303

[(9S)-9-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]-4,5,9-trihydroxy-10-oxoanthracen-2-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate

Formula: C28H32O13  |  Mol. Weight: 576.50 g/mol

IUPAC: [(9S)-9-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]-4,5,9-trihydroxy-10-oxoanthracen-2-yl]methyl (2R,3S)-3-hydroxy-2-methylbutanoate

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Overview

Molecular Formula C28H32O13
Molecular Weight 576.50 g/mol
Canonical SMILES CC(C(C)O)C(=O)OCC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)COC(=O)C)O)O)O)O)C=CC=C3O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy