15-[3,4-dihydroxy-5-[(5-methylcyclohex-2-en-1-yl)methoxy]phenyl]-3',8-dihydroxy-18-[1-hydroxy-2-(12-hydroxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),6,9(13),10-tetraen-8-yl)ethyl]-2'-(1H-pyrrol-2-ylmethyl)spiro[2,23-diazatetracyclo[18.3.1.03,12.06,11]tetracosa-1(24),3(12),4,6(11),7,9,20-heptaene-19,1'-cyclopentane]-17-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 15-[3,4-dihydroxy-5-[(5-methylcyclohex-2-en-1-yl)methoxy]phenyl]-3',8-dihydroxy-18-[1-hydroxy-2-(12-hydroxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),6,9(13),10-tetraen-8-yl)ethyl]-2'-(1H-pyrrol-2-ylmethyl)spiro[2,23-diazatetracyclo[18.3.1.03,12.06,11]tetracosa-1(24),3(12),4,6(11),7,9,20-heptaene-19,1'-cyclopentane]-17-one
• 化学式: C₅₉H₆₅N₃O₉
• 分子量: 960.2
• InChiKey: GUQSNYUUHDCLDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  71
• 可旋转键数：
  9
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  197
• 氢给体数：
  9
• 氢受体数：
  11