21'-[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]-19',30'-dihydroxy-20'-methyl-35'-(methylaminomethyl)spiro[cyclopentane-1,3'-decacyclo[27.7.2.116,20.01,32.04,32.08,13.017,33.018,26.019,23.028,33]nonatriaconta-8,10,12,18(26),35,37-hexaen-5-yne]-27'-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: 21'-[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]-19',30'-dihydroxy-20'-methyl-35'-(methylaminomethyl)spiro[cyclopentane-1,3'-decacyclo[27.7.2.116,20.01,32.04,32.08,13.017,33.018,26.019,23.028,33]nonatriaconta-8,10,12,18(26),35,37-hexaen-5-yne]-27'-one
• 英文别名: 21'-[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]-19',30'-dihydroxy-20'-methyl-35'-(methylaminomethyl)spiro[cyclopentane-1,3'-decacyclo[27.7.2.116,20.01,32.04,32.08,13.017,33.018,26.019,23.028,33]nonatriaconta-8,10,12,18(26),35,37-hexaen-5-yne]-27'-one
• 化学式: C₆₆H₈₇N₃O₇
• 分子量: 1034.4
• InChiKey: KUPOEMXCUMNNDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  76
• 可旋转键数：
  10
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  170
• 氢给体数：
  7
• 氢受体数：
  10