Molecule ID: 86580860

IUPAC Name: N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide

Description: The molecule is a glycophytoceramide having a 6-thio-alpha-D-galactopyranosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It derives from a 6-thio-beta-D-galactose.

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO[C@H]1O[C@H](CS)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

SELFIES: [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][Branch1][C][O][=N][C@@H1][Branch2][Ring1][=Branch1][C][O][C@H1][O][C@H1][Branch1][Ring1][C][S][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C]

InChI: InChI=1S/C50H99NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(53)51-42(40-58-50-49(57)48(56)47(55)44(41-60)59-50)46(54)43(52)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52,54-57,60H,3-41H2,1-2H3,(H,51,53)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: 16.5