Molecule ID: 91860468

IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Description: The molecule is an amino trisaccharide consisting of two 2-acetamido-2-deoxy-beta-D-glucopyranose residues and an alpha-D-galactopyranose residue joined in sequence by (1->6) glycosidic bonds. It is an amino trisaccharide, a member of acetamides and a glucosamine oligosaccharide.

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

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

InChI: InChI=1S/C22H38N2O16/c1-6(26)23-11-16(31)13(28)8(3-25)39-21(11)37-5-10-14(29)17(32)12(24-7(2)27)22(40-10)36-4-9-15(30)18(33)19(34)20(35)38-9/h8-22,25,28-35H,3-5H2,1-2H3,(H,23,26)(H,24,27)/t8-,9-,10-,11-,12-,13-,14-,15+,16-,17-,18+,19-,20+,21-,22-/m1/s1

Molecular Properties:
- Polar Surface Area: 286.0 Ų
- LogP: -6.9