19'-[2-[3-[5-(6-Amino-1,2-dihydropyridin-4-yl)-2-hydroxy-3-(hydroxymethyl)-3-methylpentan-2-yl]oxiran-2-yl]-4-methyloxan-2-yl]-22',28'-dihydroxy-18'-methylspiro[cyclopentane-1,3'-nonacyclo[25.7.2.116,23.01,30.04,30.08,13.018,22.026,31.031,37]heptatriaconta-8,10,12,23,33,35-hexaen-5-yne]-25'-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: 19'-[2-[3-[5-(6-Amino-1,2-dihydropyridin-4-yl)-2-hydroxy-3-(hydroxymethyl)-3-methylpentan-2-yl]oxiran-2-yl]-4-methyloxan-2-yl]-22',28'-dihydroxy-18'-methylspiro[cyclopentane-1,3'-nonacyclo[25.7.2.116,23.01,30.04,30.08,13.018,22.026,31.031,37]heptatriaconta-8,10,12,23,33,35-hexaen-5-yne]-25'-one
• 英文别名: 19'-[2-[3-[5-(6-amino-1,2-dihydropyridin-4-yl)-2-hydroxy-3-(hydroxymethyl)-3-methylpentan-2-yl]oxiran-2-yl]-4-methyloxan-2-yl]-22',28'-dihydroxy-18'-methylspiro[cyclopentane-1,3'-nonacyclo[25.7.2.116,23.01,30.04,30.08,13.018,22.026,31.031,37]heptatriaconta-8,10,12,23,33,35-hexaen-5-yne]-25'-one
• 化学式: C₆₂H₈₀N₂O₇
• 分子量: 965.3
• InChiKey: NPXFGAYQJIGUDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  71
• 可旋转键数：
  8
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  158
• 氢给体数：
  6
• 氢受体数：
  9