Molecule ID: 70679135

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]henicosanamide

Description: The molecule is an N-acyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 21 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCCCCCC(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][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/C44H87NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(48)45-36(34-53-44-43(52)42(51)41(50)38(33-46)54-44)40(49)37(47)31-28-25-22-20-19-21-24-27-30-35(2)3/h35-38,40-44,46-47,49-52H,4-34H2,1-3H3,(H,45,48)/t36-,37+,38+,40-,41+,42-,43+,44+/m0/s1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: 12.5