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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005382

(2S,3R,4S,5S,6R)-2-[[6-[(3S,3aR,6R,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]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Formula: C31H36O16  |  Mol. Weight: 664.60 g/mol

IUPAC: (2S,3R,4S,5S,6R)-2-[[6-[(3S,3aR,6R,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]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

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Overview

Molecular Formula C31H36O16
Molecular Weight 664.60 g/mol
Canonical SMILES C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)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