Molecule ID: 51351737

IUPAC Name: 1,3-dihydroxypropan-2-yl [(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[(2S,3R,4S,5R,6S)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxan-4-yl] hydrogen phosphate

Description: The molecule is a tetrasaccharide consisting of beta-L-rhamnose having a alpha-L-rhamnosyl-(1->2)-[beta-D-glucosyl-(1->4)]-beta-D-galactosyl moiety attached at the 4-position with an additional 2-glycerylphosphate group attached to the galactosyl residue. It is an oligosaccharide phosphate and a tetrasaccharide derivative.

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

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

InChI: InChI=1S/C27H49O24P/c1-7-12(32)14(34)18(38)25(44-7)49-23-22(51-52(41,42)50-9(3-28)4-29)21(48-26-19(39)15(35)13(33)10(5-30)45-26)11(6-31)46-27(23)47-20-8(2)43-24(40)17(37)16(20)36/h7-40H,3-6H2,1-2H3,(H,41,42)/t7-,8-,10+,11+,12-,13+,14+,15-,16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27-/m0/s1

Molecular Properties:
- Polar Surface Area: 383.0 Ų
- LogP: -8.8