6-[[7-[6-Carboxy-5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,6,6,10,17,17,23-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-13-en-19-yl]oxy]-3,4,5-trihydroxyoxane-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-[[7-[6-Carboxy-5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,6,6,10,17,17,23-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-13-en-19-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 英文别名: 6-[[7-[6-carboxy-5-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,6,6,10,17,17,23-heptamethyl-21-oxo-22-oxahexacyclo[18.2.2.01,14.02,11.05,10.015,20]tetracos-13-en-19-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₅₃H₈₀O₂₅
• 分子量: 1117.2
• InChiKey: PONVNXVXMUEHAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  78
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  397
• 氢给体数：
  13
• 氢受体数：
  25