Molecule ID: 70679073

IUPAC Name: N-[(E,2S,3R)-3-hydroxy-15-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]nonadecanamide

Description: The molecule is an N-acyl-1-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 19 carbons and 0 double bonds. It derives from a 15-methylhexadecasphing-4-enine.

SMILES: CCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)C

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

InChI: InChI=1S/C42H81NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(46)43-35(33-50-42-41(49)40(48)39(47)37(32-44)51-42)36(45)30-27-24-21-18-16-17-20-23-26-29-34(2)3/h27,30,34-37,39-42,44-45,47-49H,4-26,28-29,31-33H2,1-3H3,(H,43,46)/b30-27+/t35-,36+,37+,39+,40-,41+,42+/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: 12.1