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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003340

(+)-sesaminol 2-O-beta-D-glucosyl (1->2)-O-[beta-D-glucosyl (1->6)]-beta-D-glucoside

Formula: C38H48O22  |  Mol. Weight: 856.80 g/mol

IUPAC: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[[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]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Overview

Molecular Formula C38H48O22
Molecular Weight 856.80 g/mol
Canonical SMILES C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OCO4)C(O1)C8=CC9=C(C=C8)OCO9

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy