Molecule ID: 25105145

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]-8-[4-(trifluoromethyl)phenyl]octanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 8-[(4-trifluoromethyl)phenyl]octanoyl group attached to the nitrogen. It is a glycophytoceramide and an alpha-D-galactose.

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)CCCCCCCc1ccc(C(F)(F)F)cc1

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][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]

InChI: InChI=1S/C39H66F3NO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(45)34(47)30(27-51-38-37(50)36(49)35(48)32(26-44)52-38)43-33(46)21-18-15-12-13-16-19-28-22-24-29(25-23-28)39(40,41)42/h22-25,30-32,34-38,44-45,47-50H,2-21,26-27H2,1H3,(H,43,46)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 8.6