Molecule ID: 25116642

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]-6-(4-fluorophenyl)hexanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-fluorophenyl)hexanoyl group attached to the nitrogen. It derives from 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)CCCCCc1ccc(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][Branch1][C][F][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C36H62FNO9/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-29(40)32(42)28(25-46-36-35(45)34(44)33(43)30(24-39)47-36)38-31(41)19-16-13-14-17-26-20-22-27(37)23-21-26/h20-23,28-30,32-36,39-40,42-45H,2-19,24-25H2,1H3,(H,38,41)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 6.7