Molecule ID: 23726260

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]decanamide

Description: The molecule is a glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a decanoyl group attached to the nitrogen. It derives from an alpha-D-galactose and a decanoic acid.

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)CCCCCCCCC

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]

InChI: InChI=1S/C34H67NO9/c1-3-5-7-9-11-12-13-14-15-17-18-20-22-27(37)30(39)26(35-29(38)23-21-19-16-10-8-6-4-2)25-43-34-33(42)32(41)31(40)28(24-36)44-34/h26-28,30-34,36-37,39-42H,3-25H2,1-2H3,(H,35,38)/t26-,27+,28+,30-,31-,32-,33+,34-/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 7.4