Molecule ID: 50909888

IUPAC Name: N-[(2R,3S,4S,5R,6S)-6-(2-aminoethoxy)-4-hydroxy-5-methoxy-2-methyloxan-3-yl]-3-hydroxy-3-methylbutanamide

Description: The molecule is an aminoglycoside composed of glucose deoxygenated at C-4 and C-6 and having aminoethyl, methyl and 3-hydroxy-3-methylbutanamido substituents at positions 1, 2 and 4, respectively. It derives from a D-galactopyranose.

SMILES: CO[C@H]1[C@@H](OCCN)O[C@H](C)[C@@H](N=C(O)CC(C)(C)O)[C@@H]1O

SELFIES: [C][O][C@H1][C@@H1][Branch1][Branch1][O][C][C][N][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][Ring1][Ring1][O]

InChI: InChI=1S/C14H28N2O6/c1-8-10(16-9(17)7-14(2,3)19)11(18)12(20-4)13(22-8)21-6-5-15/h8,10-13,18-19H,5-7,15H2,1-4H3,(H,16,17)/t8-,10-,11+,12-,13+/m1/s1

Molecular Properties:
- Polar Surface Area: 123.0 Ų
- LogP: -1.5