BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039012

[(1S,3S,13S,14S,17S,18S,19S,20S,21S,22R,23R,24R,25R)-18,20,21,22-tetraacetyloxy-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate

Formula: C47H49NO18  |  Mol. Weight: 915.90 g/mol

IUPAC: [(1S,3S,13S,14S,17S,18S,19S,20S,21S,22R,23R,24R,25R)-18,20,21,22-tetraacetyloxy-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-24-yl] benzoate

Overview

Molecular Formula C47H49NO18
Molecular Weight 915.90 g/mol
Canonical SMILES CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C7=CC=CC=C7)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy