Methyl 11-acetyloxy-12-ethyl-4-[2-(5-ethyl-5-hydroxy-8-methylspiro[1-azabicyclo[2.2.2]octane-3,3'-indole]-2'-yl)-1-methoxy-1-oxopropan-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 鸡蛋花型生物碱
• 英文名称: Methyl 11-acetyloxy-12-ethyl-4-[2-(5-ethyl-5-hydroxy-8-methylspiro[1-azabicyclo[2.2.2]octane-3,3'-indole]-2'-yl)-1-methoxy-1-oxopropan-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
• 英文别名: methyl 11-acetyloxy-12-ethyl-4-[2-(5-ethyl-5-hydroxy-8-methylspiro[1-azabicyclo[2.2.2]octane-3,3'-indole]-2'-yl)-1-methoxy-1-oxopropan-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
• 化学式: C₄₆H₅₈N₄O₉
• 分子量: 811.0
• InChiKey: KPTVUIYMRGHKHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  59
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  13