Methyl 10-[4,5-dihydroxy-3-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-4a-[hydroperoxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-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 10-[4,5-dihydroxy-3-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-4a-[hydroperoxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
• 英文别名: methyl 10-[4,5-dihydroxy-3-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoxan-2-yl]oxy-4a-[hydroperoxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
• 化学式: C₄₉H₈₀O₂₀
• 分子量: 989.1
• InChiKey: HNGXSFUOIGLLFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  69
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  335
• 氢给体数：
  13
• 氢受体数：
  20