21-[(2,5-Dioxopyrrol-1-yl)methyl]-28-[(1-ethylcyclopentyl)methylidene]-9-hydroxy-8-[4-(3-hydroxypropyl)cyclohexyl]-4,29-dioxa-10,11-dithia-17,35-diazaoctacyclo[21.9.2.112,16.01,5.02,22.015,20.024,32.027,31]pentatriaconta-2(22),5,13,15,19,27(31)-hexaene-3,30-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: 21-[(2,5-Dioxopyrrol-1-yl)methyl]-28-[(1-ethylcyclopentyl)methylidene]-9-hydroxy-8-[4-(3-hydroxypropyl)cyclohexyl]-4,29-dioxa-10,11-dithia-17,35-diazaoctacyclo[21.9.2.112,16.01,5.02,22.015,20.024,32.027,31]pentatriaconta-2(22),5,13,15,19,27(31)-hexaene-3,30-dione
• 英文别名: 21-[(2,5-dioxopyrrol-1-yl)methyl]-28-[(1-ethylcyclopentyl)methylidene]-9-hydroxy-8-[4-(3-hydroxypropyl)cyclohexyl]-4,29-dioxa-10,11-dithia-17,35-diazaoctacyclo[21.9.2.112,16.01,5.02,22.015,20.024,32.027,31]pentatriaconta-2(22),5,13,15,19,27(31)-hexaene-3,30-dione
• 化学式: C₅₁H₆₁N₃O₈S₂
• 分子量: 908.2
• InChiKey: ZUXXBSHODFMEBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  64
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  205
• 氢给体数：
  4
• 氢受体数：
  12