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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025571

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

Formula: C28H34O13  |  Mol. Weight: 578.60 g/mol

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

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Overview

Molecular Formula C28H34O13
Molecular Weight 578.60 g/mol
Canonical SMILES COC1=C(C(=C(C(=C1)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)OC6C(C(C(C(O6)CO)O)O)O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy