Molecule ID: 124079398

IUPAC Name: N-[(2S,3S,4S,5S,6S)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-[(2R,3R,4R,5R,6S)-6-(5-aminopentoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]acetamide

Description: The molecule is a linear trisaccharide derivative consisting of N-acetyl-alpha-L-fucosaminyl, N-acetyl-alpha-D-galactosaminyl and alpha-D-galactosyl residues linked sequentially (1->3) and (1->4), and at the reducing end linked glycosidically to a 5-aminopentyl group. It is a glycoside and a trisaccharide derivative.

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

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

InChI: InChI=1S/C27H49N3O15/c1-11-18(35)20(37)16(29-12(2)33)25(41-11)45-24-17(30-13(3)34)26(42-14(9-31)19(24)36)44-23-15(10-32)43-27(22(39)21(23)38)40-8-6-4-5-7-28/h11,14-27,31-32,35-39H,4-10,28H2,1-3H3,(H,29,33)(H,30,34)/t11-,14+,15+,16-,17+,18+,19-,20-,21+,22+,23-,24+,25-,26+,27-/m0/s1

Molecular Properties:
- Polar Surface Area: 281.0 Ų
- LogP: -5.2