Molecule ID: 131801223

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]-21-phenylhenicosanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 21-phenylhenicosanoyl 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)CCCCCCCCCCCCCCCCCCCCc1ccccc1

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][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C51H93NO9/c1-2-3-4-5-6-7-8-18-21-24-27-33-38-44(54)47(56)43(41-60-51-50(59)49(58)48(57)45(40-53)61-51)52-46(55)39-34-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-30-35-42-36-31-29-32-37-42/h29,31-32,36-37,43-45,47-51,53-54,56-59H,2-28,30,33-35,38-41H2,1H3,(H,52,55)/t43-,44+,45+,47-,48-,49-,50+,51-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 14.8