[2-[17-[(6-Amino-1,2-dihydropyridin-4-yl)methyl]-12-(ethylamino)-34,50-dihydroxyspiro[52-oxa-19,21,23,26,35,59-hexazatridecacyclo[43.8.3.12,20.14,53.147,51.02,33.06,11.010,14.013,17.022,33.023,30.025,29.036,41]nonapentaconta-6(11),7,9,19,24,27,29,47(58),48,50-decaen-42,54-diyne-16,1'-cyclopentane]-45-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)-34,50-dihydroxyspiro[52-oxa-19,21,23,26,35,59-hexazatridecacyclo[43.8.3.12,20.14,53.147,51.02,33.06,11.010,14.013,17.022,33.023,30.025,29.036,41]nonapentaconta-6(11),7,9,19,24,27,29,47(58),48,50-decaen-42,54-diyne-16,1'-cyclopentane]-45-yl]-6-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]oxan-4-yl] acetate
• 化学式: C₈₄H₉₈N₁₀O₉
• 分子量: 1391.7
• InChiKey: XVSQLCXRBAVMKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  103
• 可旋转键数：
  12
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  267
• 氢给体数：
  11
• 氢受体数：
  15