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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026897

[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(1S,3R,4S,5S,6R,8R,10S,22R,23R,24R,25S,27S,29R,30S,31S,32R,34R,37R,38S,39S,40R)-4,5,23,24,30,31,38,39-octahydroxy-6,25,32-trimethyl-20-oxo-10-propyl-2,7,9,21,26,28,33,35,41-nonaoxapentacyclo[35.3.1.03,8.022,27.029,34]hentetracontan-40-yl]oxy]oxan-3-yl] (E)-2-methylbut-2-enoate

Formula: C49H82O24  |  Mol. Weight: 1055.20 g/mol

IUPAC: [(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(1S,3R,4S,5S,6R,8R,10S,22R,23R,24R,25S,27S,29R,30S,31S,32R,34R,37R,38S,39S,40R)-4,5,23,24,30,31,38,39-octahydroxy-6,25,32-trimethyl-20-oxo-10-propyl-2,7,9,21,26,28,33,35,41-nonaoxapentacyclo[35.3.1.03,8.022,27.029,34]hentetracontan-40-yl]oxy]oxan-3-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C49H82O24
Molecular Weight 1055.20 g/mol
Canonical SMILES CCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(C(OC3OCC4C(C(C(C(O4)OC5C(C(C(OC5O1)C)O)O)OC6C(C(C(C(O6)C)O)O)OC(=O)C(=CC)C)O)O)C)O)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy