BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025670

[(1S,3R,4S,5S,6R,8R,10S,22R,23S,24R,25R,27R,30R,31S,32S,33R)-33-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5,24,31,32-pentahydroxy-6,25-dimethyl-20-oxo-10-propyl-2,7,9,21,26,28,34-heptaoxatetracyclo[28.3.1.03,8.022,27]tetratriacontan-23-yl] (2R,3R)-3-hydroxy-2-methylbutanoate

Formula: C45H76O22  |  Mol. Weight: 969.10 g/mol

IUPAC: [(1S,3R,4S,5S,6R,8R,10S,22R,23S,24R,25R,27R,30R,31S,32S,33R)-33-[(2S,3R,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5,24,31,32-pentahydroxy-6,25-dimethyl-20-oxo-10-propyl-2,7,9,21,26,28,34-heptaoxatetracyclo[28.3.1.03,8.022,27]tetratriacontan-23-yl] (2R,3R)-3-hydroxy-2-methylbutanoate

3D View Find Similar

Overview

Molecular Formula C45H76O22
Molecular Weight 969.10 g/mol
Canonical SMILES CCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4C(C(C(OC4O1)C)O)O)OC5C(C(C(C(O5)C)OC(=O)C)O)O)O)O)C)O)OC(=O)C(C)C(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy