Molecule ID: 25105142

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]-11-[4-(trifluoromethyl)phenyl]undecanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and an 11-(4-trifluoromethyl)undecanoyl 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)CCCCCCCCCCc1ccc(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][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]

InChI: InChI=1S/C42H72F3NO9/c1-2-3-4-5-6-7-8-9-10-14-17-20-23-34(48)37(50)33(30-54-41-40(53)39(52)38(51)35(29-47)55-41)46-36(49)24-21-18-15-12-11-13-16-19-22-31-25-27-32(28-26-31)42(43,44)45/h25-28,33-35,37-41,47-48,50-53H,2-24,29-30H2,1H3,(H,46,49)/t33-,34+,35+,37-,38-,39-,40+,41-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 10.2