Molecule ID: 134160281

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

Description: The molecule is a linear trisaccharide derivative consisting of N-acetyl-alpha-D-glucosamine, alpha-L-rhamnose and N-acetyl-beta-D-galactosamine residues linked sequentially (1->2) and (1->4) with the N-acetylgalactosamine residue linked glycosidically to a 5-aminopentyl group. It is a trisaccharide derivative and a glycoside.

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

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

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