Molecule ID: 129626724

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

Description: The molecule is a disaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a 2,4-di-O-acetyl-6-deoxy-alpha-L-talosyl residue. It is a disaccharide derivative and a glycoside.

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

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

InChI: InChI=1S/C21H37NO12/c1-10-17(31-11(2)24)15(27)19(32-12(3)25)21(30-10)34-18-14(26)13(9-23)33-20(16(18)28)29-8-6-4-5-7-22/h10,13-21,23,26-28H,4-9,22H2,1-3H3/t10-,13+,14+,15+,16+,17+,18-,19+,20+,21-/m0/s1

Molecular Properties:
- Polar Surface Area: 197.0 Ų
- LogP: -1.9