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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002349

(5R,5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

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

IUPAC: (5R,5aR,8aR,9R)-9-(3,4-dihydroxy-5-methoxyphenyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

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Overview

Molecular Formula C26H28O13
Molecular Weight 548.50 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)O)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy