Molecule ID: 91857678

IUPAC Name: (2R,3R,4R,5S)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexane-1,2,5,6-tetrol

Description: The molecule is a glycosyl alditol that is D-glucitol in which the hydroxy groups at positions 3 and 4 have been converted to the corresponding 6-deoxy-alpha-L-galactopyranoside (also known as alpha-L-fucoside) and beta-D-galactopyranoside, respectively. It is a galactoside and a glycosyl alditol. It derives from a D-glucitol.

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

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

InChI: InChI=1S/C18H34O15/c1-5-9(24)11(26)13(28)17(30-5)32-15(6(22)2-19)16(7(23)3-20)33-18-14(29)12(27)10(25)8(4-21)31-18/h5-29H,2-4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12-,13-,14+,15+,16+,17-,18-/m0/s1

Molecular Properties:
- Polar Surface Area: 259.0 Ų
- LogP: -6.3