55-Benzyl-41-cyclohexyl-21,65-dihydroxy-42-(hydroxymethylidene)-62-methyl-35,37-diazaheptadecacyclo[44.15.4.36,22.233,36.118,22.128,32.03,18.04,63.08,17.09,27.010,15.046,62.049,53.050,60.050,63.053,57.06,69]doheptaconta-3,7,9,11,13,15,28(68),29,31,33(67),36(66),47,58,71-tetradecaen-24-yne-45-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: 55-Benzyl-41-cyclohexyl-21,65-dihydroxy-42-(hydroxymethylidene)-62-methyl-35,37-diazaheptadecacyclo[44.15.4.36,22.233,36.118,22.128,32.03,18.04,63.08,17.09,27.010,15.046,62.049,53.050,60.050,63.053,57.06,69]doheptaconta-3,7,9,11,13,15,28(68),29,31,33(67),36(66),47,58,71-tetradecaen-24-yne-45-carboxylic acid
• 英文别名: 55-benzyl-41-cyclohexyl-21,65-dihydroxy-42-(hydroxymethylidene)-62-methyl-35,37-diazaheptadecacyclo[44.15.4.36,22.233,36.118,22.128,32.03,18.04,63.08,17.09,27.010,15.046,62.049,53.050,60.050,63.053,57.06,69]doheptaconta-3,7,9,11,13,15,28(68),29,31,33(67),36(66),47,58,71-tetradecaen-24-yne-45-carboxylic acid
• 化学式: C₈₆H₉₆N₂O₅
• 分子量: 1237.7
• InChiKey: OBQFDXOVPJTSDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.7
• 重原子数：
  93
• 可旋转键数：
  4
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7