(1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-methyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,49-tridecol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-methyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,49-tridecol
• 化学式: C₄₂H₇₀O₃₃
• 分子量: 1103.0
• InChiKey: AOWLTVLWRGGSPK-JIBDZOTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13
• 重原子数：
  75
• 可旋转键数：
  6
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  514
• 氢给体数：
  19
• 氢受体数：
  33