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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002955

Cassialoin

Formula: C21H22O9  |  Mol. Weight: 418.40 g/mol

IUPAC: 1,8,10-trihydroxy-3-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one

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Overview

Molecular Formula C21H22O9
Molecular Weight 418.40 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=CC=C3O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy