12-[3,4-dihydroxy-5-[(5-methylcyclohex-2-en-1-yl)methoxy]phenyl]-3',19-dihydroxy-9-[1-hydroxy-2-(12-hydroxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),6,9(13),10-tetraen-8-yl)ethyl]-14-(methylaminomethyl)-2'-(1H-pyrrol-2-ylmethyl)spiro[2,4-diazapentacyclo[15.6.2.13,7.014,24.021,25]hexacosa-1(24),3(26),6,15,17(25),18,20,22-octaene-8,1'-cyclopentane]-10-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: 12-[3,4-dihydroxy-5-[(5-methylcyclohex-2-en-1-yl)methoxy]phenyl]-3',19-dihydroxy-9-[1-hydroxy-2-(12-hydroxy-2-oxatricyclo[7.3.1.05,13]trideca-1(12),6,9(13),10-tetraen-8-yl)ethyl]-14-(methylaminomethyl)-2'-(1H-pyrrol-2-ylmethyl)spiro[2,4-diazapentacyclo[15.6.2.13,7.014,24.021,25]hexacosa-1(24),3(26),6,15,17(25),18,20,22-octaene-8,1'-cyclopentane]-10-one
• 化学式: C₆₃H₇₀N₄O₉
• 分子量: 1027.2
• InChiKey: OGCOHYXGZUCANO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  76
• 可旋转键数：
  11
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  209
• 氢给体数：
  10
• 氢受体数：
  12