(2R,4R,5R,6S,7S,8R,11R,12S,19S,20R)-18-benzyl-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4,6,8,12,19-hexamethyl-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icosane-9,14-dione;(1R,2R,5R,6S,7S,8R,9R,11R,12Z,13S,14R)-12-[(4-tert-butyl-3-methoxyphenyl)methoxyimino]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,16-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,4R,5R,6S,7S,8R,11R,12S,19S,20R)-18-benzyl-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4,6,8,12,19-hexamethyl-10,13-dioxa-15,18-diazatricyclo[10.6.2.015,20]icosane-9,14-dione;(1R,2R,5R,6S,7S,8R,9R,11R,12Z,13S,14R)-12-[(4-tert-butyl-3-methoxyphenyl)methoxyimino]-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,16-dione
• 化学式: C99H163N5O27
• 分子量: 1855.4
• InChiKey: UPUNGUPANNRHBJ-NTRPUNSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.15
• 重原子数：
  131
• 可旋转键数：
  23
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  350
• 氢给体数：
  4
• 氢受体数：
  31