Molecule ID: 25116641

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]-25-phenylpentacosanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a 25-phenylpentacosanoyl 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)CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1

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

InChI: InChI=1S/C55H101NO9/c1-2-3-4-5-6-7-8-22-25-28-31-37-42-48(58)51(60)47(45-64-55-54(63)53(62)52(61)49(44-57)65-55)56-50(59)43-38-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-34-39-46-40-35-33-36-41-46/h33,35-36,40-41,47-49,51-55,57-58,60-63H,2-32,34,37-39,42-45H2,1H3,(H,56,59)/t47-,48+,49+,51-,52-,53-,54+,55-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 16.9