6-[5-[2,6-Dimethyl-5-[(4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl)oxycarbonyl]pyridine-3-carbonyl]oxy-6-hydroxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-yl]-1,3-benzodioxole-5-carboxylic acid

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 石蒜科生物碱
• 英文名称: 6-[5-[2,6-Dimethyl-5-[(4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl)oxycarbonyl]pyridine-3-carbonyl]oxy-6-hydroxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-yl]-1,3-benzodioxole-5-carboxylic acid
• 英文别名: 6-[5-[2,6-dimethyl-5-[(4-methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl)oxycarbonyl]pyridine-3-carbonyl]oxy-6-hydroxy-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-7-yl]-1,3-benzodioxole-5-carboxylic acid
• 化学式: C₄₃H₄₅N₃O₁₃
• 分子量: 811.8
• InChiKey: NHESLSYQZDKVBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  59
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  193
• 氢给体数：
  2
• 氢受体数：
  16