5-[3-Acetamido-5-[3-acetamido-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-carbamoyloxy-3-hydroxy-6-[hydroxy-[2-hydroxy-3-oxo-3-(4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraenoxy)propoxy]phosphoryl]oxy-3-methyloxane-2-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: 5-[3-Acetamido-5-[3-acetamido-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-carbamoyloxy-3-hydroxy-6-[hydroxy-[2-hydroxy-3-oxo-3-(4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraenoxy)propoxy]phosphoryl]oxy-3-methyloxane-2-carboxylic acid
• 英文别名: 5-[3-acetamido-5-[3-acetamido-4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopenten-1-yl)carbamoyl]oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-carbamoyloxy-3-hydroxy-6-[hydroxy-[2-hydroxy-3-oxo-3-(4,9,9,15,19-pentamethyl-12-methylideneicosa-3,7,14,18-tetraenoxy)propoxy]phosphoryl]oxy-3-methyloxane-2-carboxylic acid
• 化学式: C₇₀H₁₀₉N₄O₃₅P
• 分子量: 1597.6
• InChiKey: FUIOWSNNCWZETH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  110
• 可旋转键数：
  39
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  602
• 氢给体数：
  18
• 氢受体数：
  35