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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008764

2-[[(1R,4R,5S,23R,25R,26R,32R)-10,11,12,15,16,17,32,35,36,40,40-undecahydroxy-2,7,20,28,31-pentaoxo-3,6,21,24,27,33-hexaoxaoctacyclo[30.7.1.01,29.04,23.05,26.08,13.014,19.034,39]tetraconta-8,10,12,14,16,18,29,34(39),35,37-decaen-25-yl]oxymethyl]prop-2-enenitrile

Formula: C38H27NO23  |  Mol. Weight: 865.60 g/mol

IUPAC: 2-[[(1R,4R,5S,23R,25R,26R,32R)-10,11,12,15,16,17,32,35,36,40,40-undecahydroxy-2,7,20,28,31-pentaoxo-3,6,21,24,27,33-hexaoxaoctacyclo[30.7.1.01,29.04,23.05,26.08,13.014,19.034,39]tetraconta-8,10,12,14,16,18,29,34(39),35,37-decaen-25-yl]oxymethyl]prop-2-enenitrile

Overview

Molecular Formula C38H27NO23
Molecular Weight 865.60 g/mol
Canonical SMILES C=C(COC1C2C3C(C(O1)COC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C67C8=C(C(=C(C=C8)O)O)OC(C6(O)O)(C(=O)C=C7C(=O)O2)O)C#N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy