55-Benzyl-41-cyclohexyl-21,66-dihydroxy-42-(hydroxymethylidene)-63-methyl-58,59-dithia-35,37-diazaheptadecacyclo[44.16.4.36,22.233,36.118,22.128,32.153,56.03,18.04,64.08,17.09,27.010,15.046,63.049,53.050,61.050,64.06,71]tetraheptaconta-3,7,9,11,13,15,28(70),29,31,33(69),36(68),47,73-tridecaen-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-21,66-dihydroxy-42-(hydroxymethylidene)-63-methyl-58,59-dithia-35,37-diazaheptadecacyclo[44.16.4.36,22.233,36.118,22.128,32.153,56.03,18.04,64.08,17.09,27.010,15.046,63.049,53.050,61.050,64.06,71]tetraheptaconta-3,7,9,11,13,15,28(70),29,31,33(69),36(68),47,73-tridecaen-24-yne-45-carboxylic acid
• 英文别名: 55-benzyl-41-cyclohexyl-21,66-dihydroxy-42-(hydroxymethylidene)-63-methyl-58,59-dithia-35,37-diazaheptadecacyclo[44.16.4.36,22.233,36.118,22.128,32.153,56.03,18.04,64.08,17.09,27.010,15.046,63.049,53.050,61.050,64.06,71]tetraheptaconta-3,7,9,11,13,15,28(70),29,31,33(69),36(68),47,73-tridecaen-24-yne-45-carboxylic acid
• 化学式: C₈₆H₉₈N₂O₅S₂
• 分子量: 1303.8
• InChiKey: RSBDEDGAYDVNLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  95
• 可旋转键数：
  4
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  173
• 氢给体数：
  6
• 氢受体数：
  9