Molecule ID: 51351748

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

Description: The molecule is a linear amino tetrasaccharide comprising beta-anthrose at the non-reducing end and two alpha-L-rhamnose units joined by sequential (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]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][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@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O][C@@H1][Ring2][Ring1][Ring1][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][Ring2][O]

InChI: InChI=1S/C24H43NO14/c1-8-12(25-11(26)7-24(4,5)33)15(29)20(34-6)23(36-8)39-19-14(28)10(3)37-22(17(19)31)38-18-13(27)9(2)35-21(32)16(18)30/h8-10,12-23,27-33H,7H2,1-6H3,(H,25,26)/t8-,9+,10+,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22+,23+/m1/s1

Molecular Properties:
- Polar Surface Area: 226.0 Ų
- LogP: -3.3