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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013260

(3I(2),5I(2))-3-[(O-I(2)-D-Glucopyranosyl-(1a6)-O-I(2)-D-glucopyranosyl-(1a4)-O-2,6-dideoxy-I(2)-D-xylo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide

Formula: C41H64O19  |  Mol. Weight: 860.90 g/mol

IUPAC: 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-3-[(2R,4S,5R,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Overview

Molecular Formula C41H64O19
Molecular Weight 860.90 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)CO)O)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy