Molecule ID: 58753090

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]nonanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galctopyranosyl residue at the O-1 position and a nonanoyl 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)CCCCCCCC

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]

InChI: InChI=1S/C33H65NO9/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-26(36)29(38)25(34-28(37)22-20-18-10-8-6-4-2)24-42-33-32(41)31(40)30(39)27(23-35)43-33/h25-27,29-33,35-36,38-41H,3-24H2,1-2H3,(H,34,37)/t25-,26+,27+,29-,30-,31-,32+,33-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 6.8