BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009289

[(1R,2R,6R,7R,8R,9R,10S,12S,14R,15R,16S,18S,19S,20R)-8,18-diacetyloxy-6-(furan-3-yl)-9,19,20-trihydroxy-16-(2-methoxy-2-oxoethyl)-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-15-yl]methyl propanoate

Formula: C36H44O17  |  Mol. Weight: 748.70 g/mol

IUPAC: [(1R,2R,6R,7R,8R,9R,10S,12S,14R,15R,16S,18S,19S,20R)-8,18-diacetyloxy-6-(furan-3-yl)-9,19,20-trihydroxy-16-(2-methoxy-2-oxoethyl)-7,12,17-trimethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-15-yl]methyl propanoate

3D View Find Similar

Overview

Molecular Formula C36H44O17
Molecular Weight 748.70 g/mol
Canonical SMILES CCC(=O)OCC12C(C3(CC14C(C3OC(=O)C)(C(C56C2(C(C(C7(C5CC(=O)OC7C8=COC=C8)C)OC(=O)C)O)OC(O4)(O6)C)O)O)C)CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy