Molecule ID: 52921657

IUPAC Name: [(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentyl] hydrogen phosphate

Description: The molecule is a disaccharide phosphate consisting of alpha-D-galactosyl-(1->3)-alpha-D-glucose having a alpha-L-rhamnosyl-(1->4)-D-ribitol-5-phosphate moiety attached at the 2-position of the galactose via a phosphodiester linkage. It derives from a ribitol.

SMILES: C[C@@H]1O[C@@H](O[C@H](COP(=O)(O)O[C@H]2[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)CO)[C@H](O)[C@H](O)[C@H]1O

SELFIES: [C][C@@H1][O][C@@H1][Branch2][=Branch1][C][O][C@H1][Branch2][Branch1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C@H1][C@@H1][Branch2][Ring1][Branch1][O][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][Branch1][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][N][O]

InChI: InChI=1S/C23H43O22P/c1-6-11(28)15(32)17(34)22(40-6)43-10(12(29)7(27)2-24)5-39-46(37,38)45-20-16(33)13(30)8(3-25)42-23(20)44-19-14(31)9(4-26)41-21(36)18(19)35/h6-36H,2-5H2,1H3,(H,37,38)/t6-,7-,8+,9+,10+,11-,12-,13-,14+,15+,16-,17+,18+,19-,20+,21-,22-,23+/m0/s1

Molecular Properties:
- Polar Surface Area: 365.0 Ų
- LogP: -8.4