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Gentamicin a
PHCD compound ID : 5499
Chemical Names :
Gentamicin a
Molecular Formula : C18H36N4O10
Molecular Weight : 468.243143
More Details :
Names & Synonyms: (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-(hydroxymethyl)tetrahydropyran-3,4-diol , (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol , (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol , (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol , (2R,3S,4R,5R,6S)-5-azanyl-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2R,3R,4S,5S)-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol , (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-2-methylol-tetrahydropyran-3,4-diol
Smiles: OC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O[C@H]2OC[C@H]([C@@H]([C@H]2O)NC)O)N)[C@@H]([C@H]([C@@H]1O)O)N
InChi : InChI=1S/C18H36N4O10/c1-22-10-7(24)4-29-18(13(10)27)32-16-6(20)2-5(19)15(14(16)28)31-17-9(21)12(26)11(25)8(3-23)30-17/h5-18,22-28H,2-4,19-21H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChi Key : InChIKey=LKKVGKXCMYHKSL-QVNYEEQUSA-N
PubChem ID : 12810388
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.367195
Hydrogen bond donor count : 10 Electric dipole moment : 8.714
XLogP : -4.853 VDW volume : 414.704114
Molecular weight : 468.243143 HOMO-LUMO gap : 10.762000
Herb list :
Refrences & Litretures:
  
923.      Journal:'Letters in Applied NanoBioScience'      Year:'2020'      Volume:'9'      Page:'849'      DOI:'10.33263/LIANBS91.849852'      Title:'Chemical composition and antibacterial activity of methanolic extract from Echinops robustus on typical food-borne pathogens'
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