Molecule ID: 14375390

IUPAC Name: [(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl] hydrogen phosphate

Description: The molecule is a member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a phosphodiester linkage between position 4(F) of sucrose and position 2 of arabinose. It has a role as a plant metabolite. It derives from a sucrose and a L-arabinopyranose.

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

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

InChI: InChI=1S/C17H31O18P/c18-1-6-9(23)10(24)11(25)16(31-6)33-17(4-20)14(26)12(7(2-19)32-17)34-36(28,29)35-13-8(22)5(21)3-30-15(13)27/h5-16,18-27H,1-4H2,(H,28,29)/t5-,6+,7+,8-,9+,10-,11+,12+,13+,14-,15?,16+,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 295.0 Ų
- LogP: -6.9