Molecule ID: 50909892

IUPAC Name: N-[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-4-hydroxy-5-methoxy-2-methyloxan-3-yl]-3-hydroxy-3-methylbutanamide

Description: The molecule is a linear amino tetrasaccharide comprising the unique bacterial sugar anthrose at the non-reducing end and three L-rhamnopyranose units joined by sequential (1->3)-, (1->3)- and (1->2)-linkages.

SMILES: CO[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@H](O[C@H]4C(O)O[C@@H](C)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)O[C@H](C)[C@@H](N=C(O)CC(C)(C)O)[C@@H]1O

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

InChI: InChI=1S/C30H53NO18/c1-9-14(31-13(32)8-30(5,6)41)18(36)25(42-7)29(44-9)48-23-17(35)12(4)45-27(21(23)39)47-22-16(34)11(3)46-28(20(22)38)49-24-19(37)15(33)10(2)43-26(24)40/h9-12,14-29,33-41H,8H2,1-7H3,(H,31,32)/t9-,10+,11+,12+,14-,15+,16+,17+,18+,19-,20-,21-,22-,23-,24-,25-,26?,27-,28-,29-/m1/s1

Molecular Properties:
- Polar Surface Area: 285.0 Ų
- LogP: -4.4