N-[(2S,3R,4E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide

HCID 178967090

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCC=CCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCC
InChIKey: VCLOTRNDBUPTQD-XLSSNNOQSA-N
Molecular formula: C40H75NO8
Average molar mass: 698 g/mol
Monoisotopic mass: 697.54926836

Overview

N-[(2S,3R,4E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide has been reported in Lycium chinense with data available.

Names & identifiers

Preferred name: N-[(2S,3R,4E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
IUPAC: N-[(2S,3R,4E)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide

Properties

Computed structural properties

XLogP: 10.3
Topological polar surface area: 149 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 32
Heavy atoms: 49
Formal charge: 0
Complexity: 824

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…