Methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(2-hydroxy-4,4,11,15,15,19,20-heptamethyl-23-oxo-14-hexacyclo[19.2.1.01,6.07,20.010,19.011,16]tetracos-7-enyl)oxy]oxane-2-carboxylate

• 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: Methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(2-hydroxy-4,4,11,15,15,19,20-heptamethyl-23-oxo-14-hexacyclo[19.2.1.01,6.07,20.010,19.011,16]tetracos-7-enyl)oxy]oxane-2-carboxylate
• 英文别名: methyl 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[(2-hydroxy-4,4,11,15,15,19,20-heptamethyl-23-oxo-14-hexacyclo[19.2.1.01,6.07,20.010,19.011,16]tetracos-7-enyl)oxy]oxane-2-carboxylate
• 化学式: C₅₀H₇₈O₁₈
• 分子量: 967.1
• InChiKey: YLJGWVVLPIVIDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  68
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  281
• 氢给体数：
  9
• 氢受体数：
  18