Molecule ID: 121232677

IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Description: The molecule is a glycoside that consists of 2-sulfanylethyl beta-D-glucoside having an alpha-L-rhamnosyl residue at the 3-position. It is a glycoside and a disaccharide derivative.

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

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

InChI: InChI=1S/C14H26O10S/c1-5-7(16)9(18)10(19)14(22-5)24-12-8(17)6(4-15)23-13(11(12)20)21-2-3-25/h5-20,25H,2-4H2,1H3/t5-,6+,7-,8+,9+,10+,11+,12-,13+,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -2.9