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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001132

(2S,3S)-2-[3,5-dimethoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

Formula: C26H28O13  |  Mol. Weight: 548.50 g/mol

IUPAC: (2S,3S)-2-[3,5-dimethoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one

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Overview

Molecular Formula C26H28O13
Molecular Weight 548.50 g/mol
Canonical SMILES COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C(OC4=C(O3)C5=C(C=C4)C=CC(=O)O5)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy