Molecule ID: 23726261

IUPAC Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]tetradecanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a tetradecanoyl group attached to the nitrogen. It derives from an alpha-D-galactose and a tetradecanoic acid.

SMILES: CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N=C(O)CCCCCCCCCCCCC

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C38H75NO9/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(41)34(43)30(29-47-38-37(46)36(45)35(44)32(28-40)48-38)39-33(42)27-25-23-21-19-16-14-12-10-8-6-4-2/h30-32,34-38,40-41,43-46H,3-29H2,1-2H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 9.5