3-[4-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-(carboxymethoxy)-2-hydroxypropanoic 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-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-(carboxymethoxy)-2-hydroxypropanoic acid
• 英文别名: 3-[4-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-(carboxymethoxy)-2-hydroxypropanoic acid
• 化学式: C₄₇H₇₄O₁₉
• 分子量: 943.1
• InChiKey: VOGCXLCEYJRGGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  320
• 氢给体数：
  11
• 氢受体数：
  19