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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010714

[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-4-octanoyloxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6-(hydroxymethyl)-24-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] decanoate

Formula: C58H102O21  |  Mol. Weight: 1135.40 g/mol

IUPAC: [(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-4-octanoyloxy-6-[[(1S,3R,4S,5S,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6-(hydroxymethyl)-24-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl] decanoate

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Overview

Molecular Formula C58H102O21
Molecular Weight 1135.40 g/mol
Canonical SMILES CCCCCCCCCC(=O)OC1C(OC(C(C1O)O)OC2C(OC(C(C2OC(=O)CCCCCCC)O)OC3C(OC4C(C3OC(=O)CCCCCCCCCC(OC5C(O4)C(C(C(O5)CO)O)O)CCCCC)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy