58-Cyclohexyl-24,52-dihydroxy-23-methyl-57-methylidene-41,42-dithia-62,64-diazapentadecacyclo[61.2.2.12,6.119,23.132,46.08,17.09,14.016,27.019,44.028,45.030,47.034,39.046,51.047,53.027,69]heptaconta-1(66),2,4,6(70),8,10,12,14,17,20,28(45),34,36,38,63(67)-pentadecaene-54-carboxylic acid

• 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: 58-Cyclohexyl-24,52-dihydroxy-23-methyl-57-methylidene-41,42-dithia-62,64-diazapentadecacyclo[61.2.2.12,6.119,23.132,46.08,17.09,14.016,27.019,44.028,45.030,47.034,39.046,51.047,53.027,69]heptaconta-1(66),2,4,6(70),8,10,12,14,17,20,28(45),34,36,38,63(67)-pentadecaene-54-carboxylic acid
• 英文别名: 58-cyclohexyl-24,52-dihydroxy-23-methyl-57-methylidene-41,42-dithia-62,64-diazapentadecacyclo[61.2.2.12,6.119,23.132,46.08,17.09,14.016,27.019,44.028,45.030,47.034,39.046,51.047,53.027,69]heptaconta-1(66),2,4,6(70),8,10,12,14,17,20,28(45),34,36,38,63(67)-pentadecaene-54-carboxylic acid
• 化学式: C₇₅H₈₈N₂O₄S₂
• 分子量: 1145.6
• InChiKey: RXDLRTJQDVCZBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  83
• 可旋转键数：
  2
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  8