BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007678

[(1R,2S,3Z,6S,7S,8S,10S,14R,15R,16S,17R,18S,19S,20R)-8-acetyloxy-16-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-19,20-dihydroxy-3-(1-hydroxypropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-18-yl] 2-methylpropanoate

Formula: C40H50O17  |  Mol. Weight: 802.80 g/mol

IUPAC: [(1R,2S,3Z,6S,7S,8S,10S,14R,15R,16S,17R,18S,19S,20R)-8-acetyloxy-16-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-6-(furan-3-yl)-19,20-dihydroxy-3-(1-hydroxypropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-18-yl] 2-methylpropanoate

3D View Find Similar

Overview

Molecular Formula C40H50O17
Molecular Weight 802.80 g/mol
Canonical SMILES CCC(=C1C2C(C(CC34C25C(C6(C(C7(CC6(C3(C7C(C(=O)OC)OC(=O)C)C)OC(O4)(O5)C)C)OC(=O)C(C)C)O)O)OC(=O)C)(C(OC1=O)C8=COC=C8)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy