[2-[17-[(6-amino-1,2-dihydropyridin-4-yl)methyl]-12-(ethylamino)-24,40-dihydroxy-22-(1H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[42-oxa-19,21,25,49-tetrazadecacyclo[33.8.3.12,20.14,43.137,41.02,23.06,11.010,14.013,17.026,31]nonatetraconta-6(11),7,9,19,37(48),38,40-heptaen-32,44-diyne-16,1'-cyclopentane]-35-yl]-6-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]oxan-4-yl] acetate

• 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: [2-[17-[(6-amino-1,2-dihydropyridin-4-yl)methyl]-12-(ethylamino)-24,40-dihydroxy-22-(1H-pyrrolo[3,4-b]pyrrol-5-yl)spiro[42-oxa-19,21,25,49-tetrazadecacyclo[33.8.3.12,20.14,43.137,41.02,23.06,11.010,14.013,17.026,31]nonatetraconta-6(11),7,9,19,37(48),38,40-heptaen-32,44-diyne-16,1'-cyclopentane]-35-yl]-6-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]oxan-4-yl] acetate
• 化学式: C₈₂H₉₆N₁₀O₉
• 分子量: 1365.7
• InChiKey: FBPYKMWVIWKWOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  101
• 可旋转键数：
  13
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  267
• 氢给体数：
  11
• 氢受体数：
  15