Molecule ID: 53356700

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-4,5-dihydroxy-2-methyloxan-3-yl]-3-hydroxy-3-methylbutanamide

Description: The molecule is a linear amino tetrasaccharide comprising 2-O-demethyl-beta-anthrose at the non-reducing end and two alpha-L-rhamnose units joined by sequential (1->3)- and (1->2)-linkages.

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

SELFIES: [C][C@@H1][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Branch1][Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][P][O][C@@H1][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][Branch1][C][O][C@H1][Ring1][S][O][C@H1][Ring2][Ring1][#Branch2][O][C@H1][Ring2][Ring2][Ring2][O]

InChI: InChI=1S/C23H41NO14/c1-7-11(24-10(25)6-23(4,5)33)14(28)15(29)21(35-7)38-19-13(27)9(3)36-22(17(19)31)37-18-12(26)8(2)34-20(32)16(18)30/h7-9,11-22,26-33H,6H2,1-5H3,(H,24,25)/t7-,8+,9+,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22+/m1/s1

Molecular Properties:
- Polar Surface Area: 237.0 Ų
- LogP: -3.9