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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013946

[5-hydroxy-7-methyl-9,10-dioxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-2-yl] hydrogen sulfate

Formula: C21H20O13S  |  Mol. Weight: 512.40 g/mol

IUPAC: [5-hydroxy-7-methyl-9,10-dioxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracen-2-yl] hydrogen sulfate

Overview

Molecular Formula C21H20O13S
Molecular Weight 512.40 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)OS(=O)(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy