Molecule ID: 129011051

IUPAC Name: methyl 6-[(2S,3S,4S,5R,6R)-5-formamido-4-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxyhexanoate

Description: The molecule is a glycoside that consists of an N-formyl-2-O-methyl-alpha-D-perosamine 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 5-(methoxycarbonyl)pentyl group. It is a methyl ester, a glycoside and a trisaccharide derivative.

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

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

InChI: InChI=1S/C29H49N3O15/c1-14-18(30-11-33)21(37)25(41-5)28(44-14)47-26-22(38)19(31-12-34)15(2)45-29(26)46-24-20(32-13-35)16(3)43-27(23(24)39)42-10-8-6-7-9-17(36)40-4/h11-16,18-29,37-39H,6-10H2,1-5H3,(H,30,33)(H,31,34)(H,32,35)/t14-,15-,16-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28-,29-/m1/s1

Molecular Properties:
- Polar Surface Area: 239.0 Ų
- LogP: -2.3