Molecule ID: 11535143

IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxynonadecanoyl]amino]icosoxy]oxane-2-carboxylic acid

Description: The molecule is a glycosylceramide in which alpha-D-glucuronic acid is linked glycosidically to a 3-hydroxy-2-{[(2R)-2-hydroxynonadecanoyl]amino}icosyl moiety. Present in the cell walls of Sphingomonas bacteria.

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

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

InChI: InChI=1S/C45H87NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(47)36(35-55-45-41(51)39(49)40(50)42(56-45)44(53)54)46-43(52)38(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-42,45,47-51H,3-35H2,1-2H3,(H,46,52)(H,53,54)/t36-,37+,38+,39-,40-,41+,42-,45-/m0/s1

Molecular Properties:
- Polar Surface Area: 186.0 Ų
- LogP: 14.0