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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025575

(2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-6-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-hydroxy-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula: C29H36O15  |  Mol. Weight: 624.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[6-[(3S,3aR,6S,6aR)-6-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-hydroxy-2,3-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C29H36O15
Molecular Weight 624.60 g/mol
Canonical SMILES COC1=C(C2=C(C=C1C3C4COC(C4CO3)C5=CC(=C(C(=C5OC6C(C(C(C(O6)CO)O)O)O)OC)OC)O)OCO2)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy