Molecule ID: 52921667

IUPAC Name: (2S,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-3,4-dihydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Description: The molecule is a branched hexasaccharide consisting of alpha-D-Man at the reducing end having alpha-D-Gal-(1->6)-[alpha-D-Gal-(1->2)]-alpha-D-Gal and alpha-D-Man-(1->2)-alpha-D-Man groups attached at the 3- and 6-positions respectively.

SMILES: OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@H](O)[C@@H](O)O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

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

InChI: InChI=1S/C36H62O31/c37-1-7-13(41)19(47)24(52)32(60-7)57-5-11-17(45)23(51)30(67-34-26(54)21(49)15(43)9(3-39)62-34)36(64-11)65-28-18(46)12(59-31(56)27(28)55)6-58-35-29(22(50)16(44)10(4-40)63-35)66-33-25(53)20(48)14(42)8(2-38)61-33/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14-,15+,16-,17+,18-,19+,20+,21+,22+,23+,24-,25+,26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36-/m1/s1

Molecular Properties:
- Polar Surface Area: 506.0 Ų
- LogP: -11.7