Molecule ID: 25105081

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-methoxyphenyl)undecanamide

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

InChI: InChI=1S/C42H75NO10/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-35(45)38(47)34(31-52-42-41(50)40(49)39(48)36(30-44)53-42)43-37(46)25-22-19-16-13-12-14-17-20-23-32-26-28-33(51-2)29-27-32/h26-29,34-36,38-42,44-45,47-50H,3-25,30-31H2,1-2H3,(H,43,46)/t34-,35+,36+,38-,39-,40-,41+,42-/m0/s1

Molecular Properties:
- Polar Surface Area: 178.0 Ų
- LogP: 9.3