2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-8-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]peroxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]oxan-2-yl]methoxy]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-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-8-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]peroxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• 英文别名: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-8-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]peroxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• 化学式: C₅₄H₉₀O₂₄
• 分子量: 1123.3
• InChiKey: UTXXLDCMCDLEDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  78
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  387
• 氢给体数：
  15
• 氢受体数：
  24