Molecule ID: 70679068

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]hexadecanamide

Description: The molecule is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 16 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCC(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][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/C39H77NO9/c1-4-5-6-7-8-9-10-11-12-13-18-21-24-27-34(43)40-31(29-48-39-38(47)37(46)36(45)33(28-41)49-39)35(44)32(42)26-23-20-17-15-14-16-19-22-25-30(2)3/h30-33,35-39,41-42,44-47H,4-29H2,1-3H3,(H,40,43)/t31-,32+,33+,35-,36+,37-,38+,39+/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 9.8