[2-[2-[[5,11-Dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]-hydroperoxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] acetate

• 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-[2-[[5,11-Dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]-hydroperoxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] acetate
• 英文别名: [2-[2-[[5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]-hydroperoxymethyl]-4,5-dihydroxyoxan-3-yl]oxy-4-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl] acetate
• 化学式: C₅₄H₈₈O₂₅
• 分子量: 1137.3
• InChiKey: QEEOULUHUJYACP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  79
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  404
• 氢给体数：
  15
• 氢受体数：
  25