Molecule ID: 91846061

IUPAC Name: N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide

Description: The molecule is an amino trisaccharide consisting of alpha-L-fucopyranose, beta-D-galactopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by (1->6) and (1->4) glycosidic bonds.

SMILES: CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O

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

InChI: InChI=1S/C20H35NO15/c1-5-10(24)13(27)15(29)19(33-5)32-4-8-11(25)14(28)16(30)20(35-8)36-17-7(3-22)34-18(31)9(12(17)26)21-6(2)23/h5,7-20,22,24-31H,3-4H2,1-2H3,(H,21,23)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18?,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 257.0 Ų
- LogP: -6.4