[5-[5-[4-(3,5-Dihydroxy-4-methoxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-[[18-(3-hydroxy-3-methylbut-1-enyl)-5,9,9,14,19-pentamethyl-21-oxo-17,20-dioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docos-12-en-8-yl]oxy]oxan-3-yl] hydrogen sulfate

• 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-[5-[4-(3,5-Dihydroxy-4-methoxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-[[18-(3-hydroxy-3-methylbut-1-enyl)-5,9,9,14,19-pentamethyl-21-oxo-17,20-dioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docos-12-en-8-yl]oxy]oxan-3-yl] hydrogen sulfate
• 英文别名: [5-[5-[4-(3,5-dihydroxy-4-methoxyoxan-2-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-[[18-(3-hydroxy-3-methylbut-1-enyl)-5,9,9,14,19-pentamethyl-21-oxo-17,20-dioxahexacyclo[14.5.1.01,14.04,13.05,10.019,22]docos-12-en-8-yl]oxy]oxan-3-yl] hydrogen sulfate
• 化学式: C₅₈H₉₀O₂₉S
• 分子量: 1283.4
• InChiKey: MVGRADRPPZVXHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  88
• 可旋转键数：
  16
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  432
• 氢给体数：
  12
• 氢受体数：
  29