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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032021

9-(1,3-benzodioxol-5-yl)-4-[4-hydroxy-4-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

Formula: C31H32O15  |  Mol. Weight: 644.60 g/mol

IUPAC: 9-(1,3-benzodioxol-5-yl)-4-[4-hydroxy-4-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one

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Overview

Molecular Formula C31H32O15
Molecular Weight 644.60 g/mol
Canonical SMILES COC1=C(C=C2C(=C1)C(=C3C(=C2OC4C(C(CO4)(CO)O)OC5C(C(C(CO5)O)O)O)COC3=O)C6=CC7=C(C=C6)OCO7)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy