30-(6-Carboxy-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-15,19-bis(hydroxymethyl)-10-(4-methoxy-4-oxobutanoyl)-1,5,23,24,27,28,31,35-octamethyl-14-oxanonacyclo[20.16.0.02,19.05,18.06,15.08,13.023,36.026,35.027,32]octatriaconta-8(13),9,11-triene-9,31-dicarboxylic 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: 30-(6-Carboxy-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-15,19-bis(hydroxymethyl)-10-(4-methoxy-4-oxobutanoyl)-1,5,23,24,27,28,31,35-octamethyl-14-oxanonacyclo[20.16.0.02,19.05,18.06,15.08,13.023,36.026,35.027,32]octatriaconta-8(13),9,11-triene-9,31-dicarboxylic acid
• 英文别名: 30-(6-carboxy-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-15,19-bis(hydroxymethyl)-10-(4-methoxy-4-oxobutanoyl)-1,5,23,24,27,28,31,35-octamethyl-14-oxanonacyclo[20.16.0.02,19.05,18.06,15.08,13.023,36.026,35.027,32]octatriaconta-8(13),9,11-triene-9,31-dicarboxylic acid
• 化学式: C₆₁H₈₈O₁₇
• 分子量: 1093.3
• InChiKey: GNMOHORZWLGGDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  78
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  273
• 氢给体数：
  7
• 氢受体数：
  17