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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010530

3-O-Demethylswertipunicoside

Formula: C32H24O17  |  Mol. Weight: 680.50 g/mol

IUPAC: 1,3,6,7-tetrahydroxy-4-(1,4,6,8-tetrahydroxy-9-oxoxanthen-2-yl)-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

Overview

Molecular Formula C32H24O17
Molecular Weight 680.50 g/mol
Canonical SMILES C1=C(C=C2C(=C1O)C(=O)C3=C(C(=CC(=C3O2)O)C4=C5C(=C(C(=C4O)C6C(C(C(C(O6)CO)O)O)O)O)C(=O)C7=CC(=C(C=C7O5)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy