Molecule ID: 25105023

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]-9-phenylnonanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 9-phenylnonanoyl 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)CCCCCCCCc1ccccc1

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][Ring1][=Branch1]

InChI: InChI=1S/C39H69NO9/c1-2-3-4-5-6-7-8-9-10-11-15-21-26-32(42)35(44)31(29-48-39-38(47)37(46)36(45)33(28-41)49-39)40-34(43)27-22-16-13-12-14-18-23-30-24-19-17-20-25-30/h17,19-20,24-25,31-33,35-39,41-42,44-47H,2-16,18,21-23,26-29H2,1H3,(H,40,43)/t31-,32+,33+,35-,36-,37-,38+,39-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 8.3