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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002359

6-[(1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranoside

Formula: C32H38O17  |  Mol. Weight: 694.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[(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]-1,3-benzodioxol-5-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Overview

Molecular Formula C32H38O17
Molecular Weight 694.60 g/mol
Canonical SMILES C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)OCO4)C(O1)C7=CC8=C(C=C7)OCO8

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy