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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019051

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

Formula: C22H22O11  |  Mol. Weight: 462.40 g/mol

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

Overview

Molecular Formula C22H22O11
Molecular Weight 462.40 g/mol
Canonical SMILES CC1=C(C2=C(C(=C1OC)O)C(=O)C3=C(C2=O)C(=CC=C3)OC4C(C(C(C(O4)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy