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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008949

[(9S)-4,5,9-trihydroxy-10-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]methyl (2R,3S)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

Formula: C32H40O17  |  Mol. Weight: 696.60 g/mol

IUPAC: [(9S)-4,5,9-trihydroxy-10-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-2-yl]methyl (2R,3S)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

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Overview

Molecular Formula C32H40O17
Molecular Weight 696.60 g/mol
Canonical SMILES CC(C(C)OC1C(C(C(C(O1)CO)O)O)O)C(=O)OCC2=CC3=C(C(=C2)O)C(=O)C4=C(C3(C5C(C(C(C(O5)CO)O)O)O)O)C=CC=C4O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy