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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035345

4-[(2S,3S)-6-[(3R,3aS,6R,6aS)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol

Formula: C36H34O12  |  Mol. Weight: 658.60 g/mol

IUPAC: 4-[(2S,3S)-6-[(3R,3aS,6R,6aS)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol

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Overview

Molecular Formula C36H34O12
Molecular Weight 658.60 g/mol
Canonical SMILES C1C2C(COC2C3=CC4=C(C=C3)OC(C(O4)CO)C5=CC(=C(C=C5)O)O)C(O1)C6=CC7=C(C=C6)OC(C(O7)CO)C8=CC(=C(C=C8)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy