3'-Benzyl-38-cyclohexyl-7,56-dihydroxy-39-(hydroxymethylidene)-8,54-dimethyl-11-(2-methylpropyl)spiro[32,34-diazatetradecacyclo[41.11.2.230,33.12,12.13,53.14,12.125,29.01,50.04,15.014,23.017,22.043,54.046,50.08,61]dohexaconta-2,10,13,16,18,20,22,25(60),26,28,30(59),33(58),44-tridecaene-47,1'-cyclopentane]-42-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: 3'-Benzyl-38-cyclohexyl-7,56-dihydroxy-39-(hydroxymethylidene)-8,54-dimethyl-11-(2-methylpropyl)spiro[32,34-diazatetradecacyclo[41.11.2.230,33.12,12.13,53.14,12.125,29.01,50.04,15.014,23.017,22.043,54.046,50.08,61]dohexaconta-2,10,13,16,18,20,22,25(60),26,28,30(59),33(58),44-tridecaene-47,1'-cyclopentane]-42-carboxylic acid
• 英文别名: 3'-benzyl-38-cyclohexyl-7,56-dihydroxy-39-(hydroxymethylidene)-8,54-dimethyl-11-(2-methylpropyl)spiro[32,34-diazatetradecacyclo[41.11.2.230,33.12,12.13,53.14,12.125,29.01,50.04,15.014,23.017,22.043,54.046,50.08,61]dohexaconta-2,10,13,16,18,20,22,25(60),26,28,30(59),33(58),44-tridecaene-47,1'-cyclopentane]-42-carboxylic acid
• 化学式: C₈₅H₁₀₄N₂O₅
• 分子量: 1233.7
• InChiKey: BPNNXGYNZZHCFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  92
• 可旋转键数：
  6
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7