10-[4-[2-(1,3a,4,5,6,6a-Hexahydrocyclopenta[b]pyrrol-5-yloxy)ethyl]cyclohexyl]-15-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,20,21-tetrahydroxy-4-(2-hydroxypropylamino)hexacyclo[10.10.1.01,16.02,19.05,23.06,10]tricosa-4,13-dien-3-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: 10-[4-[2-(1,3a,4,5,6,6a-Hexahydrocyclopenta[b]pyrrol-5-yloxy)ethyl]cyclohexyl]-15-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,20,21-tetrahydroxy-4-(2-hydroxypropylamino)hexacyclo[10.10.1.01,16.02,19.05,23.06,10]tricosa-4,13-dien-3-one
• 英文别名: 10-[4-[2-(1,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-5-yloxy)ethyl]cyclohexyl]-15-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,20,21-tetrahydroxy-4-(2-hydroxypropylamino)hexacyclo[10.10.1.01,16.02,19.05,23.06,10]tricosa-4,13-dien-3-one
• 化学式: C₆₈H₁₀₄N₄O₁₂
• 分子量: 1169.6
• InChiKey: VANWQAYVAJWGRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  84
• 可旋转键数：
  16
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  280
• 氢给体数：
  13
• 氢受体数：
  16