Molecule ID: 25116873

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-phenylphenyl)hexanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 6-([1,1'-biphenyl]-4-yl)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(-c2ccccc2)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][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]

InChI: InChI=1S/C42H67NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-35(45)38(47)34(30-51-42-41(50)40(49)39(48)36(29-44)52-42)43-37(46)24-19-13-15-20-31-25-27-33(28-26-31)32-21-16-14-17-22-32/h14,16-17,21-22,25-28,34-36,38-42,44-45,47-50H,2-13,15,18-20,23-24,29-30H2,1H3,(H,43,46)/t34-,35+,36+,38-,39-,40-,41+,42-/m0/s1

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