4a-[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6a,6b,7,8,8a,11,12,13,14,14a-tetradecahydropicene-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: 4a-[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6a,6b,7,8,8a,11,12,13,14,14a-tetradecahydropicene-2-carboxylic acid
• 英文别名: 4a-[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-2,9,9,12a,14b-pentamethyl-10-oxo-1,3,4,5,6a,6b,7,8,8a,11,12,13,14,14a-tetradecahydropicene-2-carboxylic acid
• 化学式: C₄₇H₇₂O₁₉
• 分子量: 941.1
• InChiKey: GAPPNJBBTBVNKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  66
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  309
• 氢给体数：
  10
• 氢受体数：
  19