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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019556

3-[(6-Deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide

Formula: C36H56O14  |  Mol. Weight: 712.80 g/mol

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

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Overview

Molecular Formula C36H56O14
Molecular Weight 712.80 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy