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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020771

Aloin A

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

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

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Overview

Molecular Formula C21H22O9
Molecular Weight 418.40 g/mol
Canonical SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy