31-(2-Hydroxyethyl)-6,17-bis(hydroxymethyl)-6,12,13,17,33-pentamethyl-25-(methylaminomethyl)-18-(3,4,5-trihydroxyoxan-2-yl)oxy-20-oxaheptacyclo[17.12.3.03,12.04,9.013,32.016,33.022,27]tetratriaconta-2,22(27),23,25-tetraen-29-yne-9-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 31-(2-Hydroxyethyl)-6,17-bis(hydroxymethyl)-6,12,13,17,33-pentamethyl-25-(methylaminomethyl)-18-(3,4,5-trihydroxyoxan-2-yl)oxy-20-oxaheptacyclo[17.12.3.03,12.04,9.013,32.016,33.022,27]tetratriaconta-2,22(27),23,25-tetraen-29-yne-9-carboxylic acid
• 英文别名: 31-(2-hydroxyethyl)-6,17-bis(hydroxymethyl)-6,12,13,17,33-pentamethyl-25-(methylaminomethyl)-18-(3,4,5-trihydroxyoxan-2-yl)oxy-20-oxaheptacyclo[17.12.3.03,12.04,9.013,32.016,33.022,27]tetratriaconta-2,22(27),23,25-tetraen-29-yne-9-carboxylic acid
• 化学式: C₅₀H₇₃NO₁₁
• 分子量: 864.1
• InChiKey: BYNQPSLXKJCGPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  62
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  198
• 氢给体数：
  8
• 氢受体数：
  12