41-Benzyl-27-cyclohexyl-33,55-dihydroxy-28-(hydroxymethylidene)-56,63-dimethyl-59-(2-methylpropyl)-44,45-dithia-21,23-diazapentadecacyclo[33.24.2.219,22.11,52.114,18.132,49.136,39.139,42.03,12.04,52.06,11.036,47.051,61.035,63.056,62]octahexaconta-2,5,7,9,11,14(68),15,17,19(67),22(66),51(61),58-dodecaene-31-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: 41-Benzyl-27-cyclohexyl-33,55-dihydroxy-28-(hydroxymethylidene)-56,63-dimethyl-59-(2-methylpropyl)-44,45-dithia-21,23-diazapentadecacyclo[33.24.2.219,22.11,52.114,18.132,49.136,39.139,42.03,12.04,52.06,11.036,47.051,61.035,63.056,62]octahexaconta-2,5,7,9,11,14(68),15,17,19(67),22(66),51(61),58-dodecaene-31-carboxylic acid
• 英文别名: 41-benzyl-27-cyclohexyl-33,55-dihydroxy-28-(hydroxymethylidene)-56,63-dimethyl-59-(2-methylpropyl)-44,45-dithia-21,23-diazapentadecacyclo[33.24.2.219,22.11,52.114,18.132,49.136,39.139,42.03,12.04,52.06,11.036,47.051,61.035,63.056,62]octahexaconta-2,5,7,9,11,14(68),15,17,19(67),22(66),51(61),58-dodecaene-31-carboxylic acid
• 化学式: C₈₅H₁₀₆N₂O₅S₂
• 分子量: 1299.9
• InChiKey: VWXUEQIVWMLBBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  94
• 可旋转键数：
  6
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  173
• 氢给体数：
  6
• 氢受体数：
  9