BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009560

methyl 2-[(1R,2R,3R,6S,7S,8R,12R,13R,17R,18R,19R,20S)-17,18-diacetyloxy-19-[(S)-acetyloxy(furan-3-yl)methyl]-10-ethyl-3,6,7-trihydroxy-2,5,19-trimethyl-15-oxo-9,14,16-trioxahexacyclo[10.4.3.12,5.01,13.03,7.08,13]icos-10-en-20-yl]acetate

Formula: C36H44O16  |  Mol. Weight: 732.70 g/mol

IUPAC: methyl 2-[(1R,2R,3R,6S,7S,8R,12R,13R,17R,18R,19R,20S)-17,18-diacetyloxy-19-[(S)-acetyloxy(furan-3-yl)methyl]-10-ethyl-3,6,7-trihydroxy-2,5,19-trimethyl-15-oxo-9,14,16-trioxahexacyclo[10.4.3.12,5.01,13.03,7.08,13]icos-10-en-20-yl]acetate

3D View Find Similar

Overview

Molecular Formula C36H44O16
Molecular Weight 732.70 g/mol
Canonical SMILES CCC1=CC2C(C(C(C34C2(C(O1)C5(C(C6(CC5(C3(C6CC(=O)OC)C)O)C)O)O)OC(=O)O4)OC(=O)C)OC(=O)C)(C)C(C7=COC=C7)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy