Molecule ID: 70679071

IUPAC Name: N-[(2S,3S,4R)-3,4-dihydroxy-15-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecan-2-yl]heptadecanamide

Description: The molecule is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 17 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCC(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C

SELFIES: [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][O][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][Branch1][C][C][C]

InChI: InChI=1S/C40H79NO9/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-35(44)41-32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)36(45)33(43)27-24-21-18-16-15-17-20-23-26-31(2)3/h31-34,36-40,42-43,45-48H,4-30H2,1-3H3,(H,41,44)/t32-,33+,34+,36-,37+,38-,39+,40+/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 10.3