Molecule ID: 132282060

IUPAC Name: (3R,4S,5S,6R)-2-[2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yloxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol

Description: The molecule is a disaccharide derivative obtained by formal condensation of the hydroxy group of linalool 3,6-oxide with the anomeric centre of beta-D-xylosyl-(1->6)-beta-D-glucose It has a role as a Camellia sinensis metabolite. It is a disaccharide derivative, a glycoside and a member of oxolanes.

SMILES: C=CC1(C)CCC(C(C)(C)OC2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)O1

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

InChI: InChI=1S/C21H36O11/c1-5-21(4)7-6-12(31-21)20(2,3)32-19-17(27)15(25)14(24)11(30-19)9-29-18-16(26)13(23)10(22)8-28-18/h5,10-19,22-27H,1,6-9H2,2-4H3/t10-,11-,12?,13+,14-,15+,16-,17-,18+,19?,21?/m1/s1

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: -2.2