(2S,3R,6R,8S)-9-[(6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(3-hydroxy-2-methylbutan-2-yl)-7-[(5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one;(2R,3R,6R,8S)-9-[(6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(3-hydroxy-2-methylbutan-2-yl)-7-[(5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one;(2R,3R,6R,8S)-9-[(6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(3-hydroxy-2-methylbutan-2-yl)-7-[(5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-2,6,8,12-tetramethyl-4,13-dioxabicyclo[8.2.1]trideca-1(12),10-dien-5-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3R,6R,8S)-9-[(6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(3-hydroxy-2-methylbutan-2-yl)-7-[(5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one;(2R,3R,6R,8S)-9-[(6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(3-hydroxy-2-methylbutan-2-yl)-7-[(5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one;(2R,3R,6R,8S)-9-[(6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(3-hydroxy-2-methylbutan-2-yl)-7-[(5S,6S)-4-methoxy-4,5,6-trimethyloxan-2-yl]oxy-2,6,8,12-tetramethyl-4,13-dioxabicyclo[8.2.1]trideca-1(12),10-dien-5-one
• 化学式: C113H199N3O30
• 分子量: 2079.8
• InChiKey: MVSFRBACAAIOBF-XEDXSVJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.18
• 重原子数：
  146
• 可旋转键数：
  24
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  380
• 氢给体数：
  6
• 氢受体数：
  33