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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038664

11-[(2R,3R,4S,5S,6R)-3-[(1R,2R,3S,4R,5S)-2-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)-4-methylcyclohexyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid

Formula: C42H76O18  |  Mol. Weight: 869.00 g/mol

IUPAC: 11-[(2R,3R,4S,5S,6R)-3-[(1R,2R,3S,4R,5S)-2-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)-4-methylcyclohexyl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid

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Overview

Molecular Formula C42H76O18
Molecular Weight 869.00 g/mol
Canonical SMILES CCCCCC(CCCCCCCCCC(=O)O)OC1C(C(C(C(O1)C)O)O)OC2CC(C(C(C2OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)O)O)O)O)O)O)C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy