Emamectin benzoate 50 microg/mL in Acetonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Emamectin benzoate 50 microg/mL in Acetonitrile
• 英文别名: benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
• 化学式: C111H160N2O30
• 分子量: 2002.4
• InChiKey: USUJBLMUKKVXRQ-LLJLFOECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.59
• 重原子数：
  143
• 可旋转键数：
  19
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  398
• 氢给体数：
  8
• 氢受体数：
  32