Molecule ID: 51351742

IUPAC Name: [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(2R,3R,4S,5R,6S)-4-hydroxy-2-(hydroxymethyl)-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-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] dihydrogen phosphate

Description: The molecule is a branched tetrasaccharide derivative consisting of beta-L-rhamnose having a 3-O-phosphono-beta-D-glucosyl-(1->4)-[alpha-L-rhamnosyl-(1->2)]-beta-D-galactosyl moiety attached at the 4-position. 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](OP(=O)(O)O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C24H43O22P/c1-5-9(27)11(29)14(32)22(40-5)45-20-15(33)18(44-23-16(34)19(46-47(36,37)38)10(28)7(3-25)41-23)8(4-26)42-24(20)43-17-6(2)39-21(35)13(31)12(17)30/h5-35H,3-4H2,1-2H3,(H2,36,37,38)/t5-,6-,7+,8+,9-,10+,11+,12-,13+,14+,15-,16+,17-,18-,19-,20+,21-,22-,23-,24-/m0/s1

Molecular Properties:
- Polar Surface Area: 354.0 Ų
- LogP: -8.0