BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036269

[(2R,3S,4R,5S,6S)-2-[[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-6b-hydroxy-11b-methyl-10-methylidene-9-(5-oxo-2H-furan-3-yl)-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-3-yl]oxy]-4-methoxy-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-3-yl] acetate

Formula: C44H66O19  |  Mol. Weight: 899.00 g/mol

IUPAC: [(2R,3S,4R,5S,6S)-2-[[(3S,4aR,6aR,6bS,9S,10aR,11aS,11bS)-6b-hydroxy-11b-methyl-10-methylidene-9-(5-oxo-2H-furan-3-yl)-1,2,3,4,4a,5,6,6a,7,8,9,10a,11,11a-tetradecahydrobenzo[a]fluoren-3-yl]oxy]-4-methoxy-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-3-yl] acetate

3D View Find Similar

Overview

Molecular Formula C44H66O19
Molecular Weight 899.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CC5C4(CCC(C5=C)C6=CC(=O)OC6)O)C)OC(=O)C)OC)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