8-[4-[2-(1,3a,4,5,6,6a-Hexahydrocyclopenta[b]pyrrol-5-yloxy)ethyl]cyclohexyl]-3-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-14-[(2-cyclohexyl-2-hydroxyethyl)amino]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,18,19-tetrahydroxypentacyclo[11.7.1.01,16.06,21.08,12]henicosa-4,13-dien-15-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 8-[4-[2-(1,3a,4,5,6,6a-Hexahydrocyclopenta[b]pyrrol-5-yloxy)ethyl]cyclohexyl]-3-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-14-[(2-cyclohexyl-2-hydroxyethyl)amino]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,18,19-tetrahydroxypentacyclo[11.7.1.01,16.06,21.08,12]henicosa-4,13-dien-15-one
• 英文别名: 8-[4-[2-(1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-5-yloxy)ethyl]cyclohexyl]-3-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-14-[(2-cyclohexyl-2-hydroxyethyl)amino]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,18,19-tetrahydroxypentacyclo[11.7.1.01,16.06,21.08,12]henicosa-4,13-dien-15-one
• 化学式: C₇₁H₁₁₀N₄O₁₂
• 分子量: 1211.7
• InChiKey: MTRZKPFKEMTSGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  87
• 可旋转键数：
  17
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  280
• 氢给体数：
  13
• 氢受体数：
  16