3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-8a-[4-hydroxy-3-[4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-5-[3-(3-hydroxy-2-methylbutanoyl)oxy-2-methylbutanoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-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: 3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-8a-[4-hydroxy-3-[4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-5-[3-(3-hydroxy-2-methylbutanoyl)oxy-2-methylbutanoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 英文别名: 3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-8a-[4-hydroxy-3-[4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-5-[3-(3-hydroxy-2-methylbutanoyl)oxy-2-methylbutanoyl]oxy-6-methyloxan-2-yl]oxycarbonyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 化学式: C₇₄H₁₁₈O₃₆
• 分子量: 1583.7
• InChiKey: BGORGBRQUFPZTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  110
• 可旋转键数：
  24
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  562
• 氢给体数：
  18
• 氢受体数：
  36