5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;6-[3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]hex-2-enoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,10,15,20,25,30-Hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;6-[3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]hex-2-enoic acid
• 英文别名: 5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol;6-[3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]hex-2-enoic acid
• 化学式: C57H94O35
• 分子量: 1339.3
• InChiKey: AURWGUVCKQSRJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.56
• 重原子数：
  92
• 可旋转键数：
  18
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  570
• 氢给体数：
  21
• 氢受体数：
  35