Molecule ID: 21589677

IUPAC Name: (2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,4,5-triol

Description: The molecule is a linear trisaccharide consisting of three alpha-D-rhamose units joined by an alpha-(1->3)- and an alpha-(1->2)- linkage. It has a role as an epitope.

SMILES: C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@@H]3O)O[C@H](C)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

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

InChI: InChI=1S/C18H32O13/c1-4-8(20)11(23)15(16(26)27-4)31-18-13(25)14(9(21)6(3)29-18)30-17-12(24)10(22)7(19)5(2)28-17/h4-26H,1-3H3/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 208.0 Ų
- LogP: -4.3