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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008954

(2S,4S)-2,8,9-trihydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one

Formula: C21H24O10  |  Mol. Weight: 436.40 g/mol

IUPAC: (2S,4S)-2,8,9-trihydroxy-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-anthracen-1-one

Overview

Molecular Formula C21H24O10
Molecular Weight 436.40 g/mol
Canonical SMILES CC1=CC2=CC3=C(C(=O)C(CC3OC4C(C(C(C(O4)CO)O)O)O)O)C(=C2C(=C1)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy