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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019344

[(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-acetyloxy-4-(3-hydroxy-2-methylbutanoyl)oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3R,5S,6R,7R,8R,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate

Formula: C65H112O28  |  Mol. Weight: 1341.60 g/mol

IUPAC: [(2S,3R,4R,5R,6S)-5-[(2S,3R,4R,5S,6S)-5-acetyloxy-4-(3-hydroxy-2-methylbutanoyl)oxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-methyl-2-[[(1R,3R,5S,6R,7R,8R,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl] dodecanoate

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Overview

Molecular Formula C65H112O28
Molecular Weight 1341.60 g/mol
Canonical SMILES CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC3C(C2O)OC(=O)CCCCCCCCCC(OC4C(O3)C(C(C(O4)CO)O)O)CCCCC)C)C)OC5C(C(C(C(O5)C)OC(=O)C)OC(=O)C(C)C(C)O)OC6C(C(C(C(O6)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy