Molecule ID: 91826579

IUPAC Name: (2R,3R,4S,6S)-3-amino-6-(aminomethyl)-2-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4R,5S)-3,4-diamino-5-methoxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxan-4-ol

Description: The molecule is an aminoglycoside antibiotic that is part of an antimicrobial complex consisting of factors 1,2,3,5 from a soil isolate named Streptomyces hofunensis. It has a role as an antimicrobial drug and a bacterial metabolite. It is an amino cyclitol glycoside and an aminoglycoside antibiotic.

SMILES: CO[C@@H]1CO[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)C[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)[C@H](N)[C@H]1N

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

InChI: InChI=1S/C18H38N6O7/c1-27-10-5-28-17(13(24)12(10)23)30-15-7(20)3-8(21)16(14(15)26)31-18-11(22)9(25)2-6(4-19)29-18/h6-18,25-26H,2-5,19-24H2,1H3/t6-,7+,8-,9-,10+,11+,12-,13+,14+,15-,16+,17+,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 243.0 Ų
- LogP: -6.4