Compound: apramycin
SMILES: O1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@H]3[C@H]1[C@H](O)[C@H](NC)[C@@H](O[C@H]4O[C@@H]([C@@H](N)[C@@H]([C@H]4O)O)CO)O3
InChIKey: XZNUGFQTQHRASN-XQENGBIVSA-N
Synonyms: apramycin, 37321-09-8, Nebramycin II, Nebramycin factor 2, Apramicina, Apramycine, Apramycinum, EL-857, DTXSID5045465, 388K3TR36Z, EBL-1003, (2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)oxane-3,4-diol, 4-O-((8R)-2-Amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl)-2-deoxy-D-streptamine, 4-O-(3alpha-Amino-6alpha-((4-amino-4-deoxy-alpha-D-glucopyranosyl)oxy)-2,3,4,5abeta,6,7,8,8aalpha-octahydro-8beta-hydroxy-7beta-(methylamino)pyrano(3,2-b)pyran-2alpha-yl)-2-deoxy-D-streptamine, CHEBI:2790, DTXCID3025465, NSC-758938, (2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl 4-amino-4-deoxy-alpha-D-glucopyranoside, (2R,3R,4S,5S,6S)-2-(((2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano(3,2-b)pyran-2-yl)oxy)-5-amino-6-(hydroxymethyl)oxane-3,4-diol, (2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-(((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl)oxy)-4-hydroxy-3-(methylamino)octahydropyrano(3,2-b)pyran-2-yl 4-amino-4-deoxy-alpha-D-glucopyranoside, RefChem:558430, (2R,3R,4R,5S,6R)-5-amino-2-(((1R,2R,3R,4R,6R,8R)-8-amino-9-((1R,2S,3R,4R,6R)-4,6-diamino-2,3-dihydroxy-cyclohexyl)oxy-2-hydroxy-3-methylamino-5,10-dioxabicyclo(4.4.0)dec-4-yl)oxy)-6-(hydroxymethyl)oxane-3,4-diol, 253-460-1, (2R,3R,4S,5S,6S)-5-Amino-2-(((2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-(((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl)oxy)-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol, Ambylan, C21H41N5O11, AM2, Apramycine [INN-French], Apramycinum [INN-Latin], Apramicina [INN-Spanish], Apramycin [USAN:INN:BAN], UNII-388K3TR36Z, EL-857/820, NCGC00016836-01, EINECS 253-460-1, CAS-37321-09-8, EL 857, APRAMYCIN [INN], APRAMYCIN [MI], Apramycin (USAN/INN), APRAMYCIN [USAN], Apramycin (Nebramycin II), APRAMYCIN [MART.], SCHEMBL18388, orb1692130, CHEMBL1230961, GTPL10760, XZNUGFQTQHRASN-XQENGBIVSA-N, EL857, HMS2090I15, Tox21_110639, MFCD00865086, AKOS032944905, DB04626, NSC 758938, HY-17558, A3395, C01555, D02322, AB01275497-01, Q418940, (2R,3R,4S,5S,6S)-2-[[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-5-amino-6-(hydroxymethyl)tetrahydropyran-3,4-diol, (2R,3R,4S,5S,6S)-5-Amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4-diol, (2R,3R,4S,5S,6S)-5-amino-2-{[(2R,3S,4R,4aR,6S,7R,8aS)-7-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-4-hydroxy-3-(methylamino)octahydropyrano[3,2-b]pyran-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4-diol (non-preferred name), 4-O-((8R)-2-AMINO-8-O-(4-AMINO-4-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL)-2,3,7-TRIDEOXY-7-(METHYLAMINO)-D-GLYCERO-.ALPHA.-D-ALLO-OCTODIALDO-1,5:8,4-DIPYRANOS-1-YL)-2-DEOXY-D-STREPTAMINE, D-STREPTAMINE, 4-O-((8R)-2-AMINO-8-O-(4-AMINO-4-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL)-2,3,7-TRIDEOXY-7-(METHYLAMINO)-D-GLYCERO-.ALPHA.-D-ALLO-OCTODIALDO-1,5:8,4-DIPYRANOS-1-YL)-2-DEOXY-, D-Streptamine, 4-O-((8R)-2-amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl)-2-deoxy-, D-Streptamine, O-4-amino-4-deoxy-alpha-D-glucopyranosyl-(1.fwdarw.8)-O-(8R)-2-amino-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranosyl-(1.fwdarw.4)-2-deoxy-
Theoretical properties:
molecular_formula: C21H41N5O11
molecular_weight: 539.6 g/mol
exact_mass: 539.28025714 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 11
hydrogen_bond_acceptor_count: 16
rotatable_bond_count: 6
heavy_atom_count: 37
topological_polar_surface_area: 284 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Apramycin is an aminoglycoside that is 2-deoxystreptamine that is substituted on the oxygen at position 4 by an (8R)-2-amino-8-O-(4-amino-4-deoxy-alpha-D-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-D-glycero-alpha-D-allo-octodialdo-1,5:8,4-dipyranos-1-yl) group. It has a role as an antimicrobial agent and an antibacterial drug. It is an organic heterobicyclic compound, an aminoglycoside and a 2-deoxystreptamine derivative.
chebi: An aminoglycoside that is 2-deoxystreptamine that is substituted on the oxygen at position 4 by an (8<i>R</i>)-2-amino-8-<em>O</em>-(4-amino-4-deoxy-α-<small>D</small>-glucopyranosyl)-2,3,7-trideoxy-7-(methylamino)-<small>D</small>-glycero-α-<small>D</small>-<i>allo</i>-octodialdo-1,5:8,4-dipyranos-1-yl) group.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Apramycin (nebramycin II) is an aminoglycoside antibiotic used in veterinary medicine.  It is produced by Streptomyces tenebrarius.