6-[[8a-[3-[3-Acetyloxy-5-hydroxy-6-methyl-4-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-(acetyloxymethyl)-8-hydroxy-11-methoxycarbonyl-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

• 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: 6-[[8a-[3-[3-Acetyloxy-5-hydroxy-6-methyl-4-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-(acetyloxymethyl)-8-hydroxy-11-methoxycarbonyl-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
• 英文别名: 6-[[8a-[3-[3-acetyloxy-5-hydroxy-6-methyl-4-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-5-(2-methylbutanoyloxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-(acetyloxymethyl)-8-hydroxy-11-methoxycarbonyl-4,6a,6b,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
• 化学式: C₇₅H₁₁₆O₃₅
• 分子量: 1577.7
• InChiKey: OOGFMPHHIBCJEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  110
• 可旋转键数：
  29
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  521
• 氢给体数：
  13
• 氢受体数：
  35