2-[[13-Hydroxy-4a,9-bis(hydroxymethyl)-10-[5-hydroxy-6-methyl-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

• 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: 2-[[13-Hydroxy-4a,9-bis(hydroxymethyl)-10-[5-hydroxy-6-methyl-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[[13-hydroxy-4a,9-bis(hydroxymethyl)-10-[5-hydroxy-6-methyl-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₅₄H₉₀O₂₄
• 分子量: 1123.3
• InChiKey: BSRBMQQNOLETTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  78
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  398
• 氢给体数：
  16
• 氢受体数：
  24