Molecule ID: 129011056

IUPAC Name: N-[(2R,3S,4S,5S,6S)-5-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4R,5S,6R)-5-(5-aminopentoxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-formamido-4-hydroxy-6-methyloxan-2-yl]oxy-5-formamido-3-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methoxy-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 three N-formyl-alpha-D-perosamine residues linked sequentially (1->2), (1->3) and (1->2) and linked at the reducing end glycosidically to a methyl group. It is a methyl glycoside and a tetrasaccharide derivative.

SMILES: CO[C@H]1O[C@H](C)[C@@H](N=CO)[C@H](O)[C@@H]1O[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][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][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/C33H58N4O17/c1-14-18(35-11-38)21(41)28(32(46-5)49-14)53-31-25(45)27(20(37-13-40)16(3)48-31)52-33-29(22(42)19(36-12-39)15(2)50-33)54-30-24(44)23(43)26(17(4)51-30)47-10-8-6-7-9-34/h11-33,41-45H,6-10,34H2,1-5H3,(H,35,38)(H,36,39)(H,37,40)/t14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24+,25+,26-,27+,28+,29+,30-,31-,32+,33-/m1/s1

Molecular Properties:
- Polar Surface Area: 298.0 Ų
- LogP: -4.1