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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012569

Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-

Formula: C35H54O14  |  Mol. Weight: 698.80 g/mol

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

Overview

Molecular Formula C35H54O14
Molecular Weight 698.80 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)CO)O)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy