Molecule ID: 129011055

IUPAC Name: N-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,5S,6R)-5-(5-aminopentoxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[(2S,3S,4S,5R,6R)-5-formamido-3-hydroxy-2-methoxy-6-methyloxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl]formamide

Description: The molecule is a methyl glycoside that consists of a 4-O-(5-aminopentyl)-alpha-D-mannose residue and two N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3) and linked at the reducing end glycosidically to a methyl group. It is a methyl glycoside and a trisaccharide derivative.

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

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

InChI: InChI=1S/C26H47N3O13/c1-12-15(28-10-30)17(32)23(26(39-12)41-22-16(29-11-31)13(2)38-24(36-4)20(22)35)42-25-19(34)18(33)21(14(3)40-25)37-9-7-5-6-8-27/h10-26,32-35H,5-9,27H2,1-4H3,(H,28,30)(H,29,31)/t12-,13-,14-,15-,16-,17+,18-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1

Molecular Properties:
- Polar Surface Area: 230.0 Ų
- LogP: -3.0