12-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-3-[1-(11,15-dihydroxy-6-propyl-16-oxatetracyclo[7.6.2.01,10.04,17]heptadec-2-en-15-yl)-1-hydroxyethyl]-6,9,16,17-tetrahydroxy-45-(2-hydroxypropylamino)-35-oxa-31-azatridecacyclo[20.18.2.27,19.28,12.12,9.123,26.02,6.08,14.014,19.027,34.028,32.038,42.036,43]octatetraconta-7(45),10,20,23(43),25,29,46-heptaen-44-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: 12-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-3-[1-(11,15-dihydroxy-6-propyl-16-oxatetracyclo[7.6.2.01,10.04,17]heptadec-2-en-15-yl)-1-hydroxyethyl]-6,9,16,17-tetrahydroxy-45-(2-hydroxypropylamino)-35-oxa-31-azatridecacyclo[20.18.2.27,19.28,12.12,9.123,26.02,6.08,14.014,19.027,34.028,32.038,42.036,43]octatetraconta-7(45),10,20,23(43),25,29,46-heptaen-44-one
• 英文别名: 12-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-3-[1-(11,15-dihydroxy-6-propyl-16-oxatetracyclo[7.6.2.01,10.04,17]heptadec-2-en-15-yl)-1-hydroxyethyl]-6,9,16,17-tetrahydroxy-45-(2-hydroxypropylamino)-35-oxa-31-azatridecacyclo[20.18.2.27,19.28,12.12,9.123,26.02,6.08,14.014,19.027,34.028,32.038,42.036,43]octatetraconta-7(45),10,20,23(43),25,29,46-heptaen-44-one
• 化学式: C₇₈H₁₀₄N₄O₁₂
• 分子量: 1289.7
• InChiKey: LLXROTJCFPDVRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  94
• 可旋转键数：
  11
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  280
• 氢给体数：
  13
• 氢受体数：
  16