2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[6-hydroxy-1,1,4a,10a,10b-pentamethyl-7-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,4,4b,5,6,6a,7,8,9,10,11,12,12a-tetradecahydrochrysen-2-yl]oxy]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-[[6-hydroxy-1,1,4a,10a,10b-pentamethyl-7-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,4,4b,5,6,6a,7,8,9,10,11,12,12a-tetradecahydrochrysen-2-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• 英文别名: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[6-hydroxy-1,1,4a,10a,10b-pentamethyl-7-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,4,4b,5,6,6a,7,8,9,10,11,12,12a-tetradecahydrochrysen-2-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
• 化学式: C₄₉H₈₄O₁₈
• 分子量: 961.2
• InChiKey: RVLBRSCITSWCGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  67
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  298
• 氢给体数：
  12
• 氢受体数：
  18