Molecule ID: 25116871

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-methoxyphenyl)hexanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-(4-methoxyphenyl)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(OC)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][Ring1][O][C][C][=C][Ring1][Branch2]

InChI: InChI=1S/C37H65NO10/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-30(40)33(42)29(26-47-37-36(45)35(44)34(43)31(25-39)48-37)38-32(41)20-17-14-15-18-27-21-23-28(46-2)24-22-27/h21-24,29-31,33-37,39-40,42-45H,3-20,25-26H2,1-2H3,(H,38,41)/t29-,30+,31+,33-,34-,35-,36+,37-/m0/s1

Molecular Properties:
- Polar Surface Area: 178.0 Ų
- LogP: 6.6