3-Hydroxy-5-[1-hydroxy-2-[4-[18-[4-[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethoxy]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxyethyl]oxolane-2,4-dione

• 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: 3-Hydroxy-5-[1-hydroxy-2-[4-[18-[4-[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethoxy]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxyethyl]oxolane-2,4-dione
• 英文别名: 3-hydroxy-5-[1-hydroxy-2-[4-[18-[4-[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethoxy]-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxyethyl]oxolane-2,4-dione
• 化学式: C₅₂H₆₄O₁₄
• 分子量: 913.1
• InChiKey: IKDGUIXAVKIGHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  66
• 可旋转键数：
  18
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  220
• 氢给体数：
  4
• 氢受体数：
  14