Oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one, 8,10,16,20,24,26,28,30,32,34,26,28-dodecahydroxy-23-(alpha-D-mannopyranosyloxy)-3,7,9,15,19,21,31,33-octamethyl-42-((1R)-1-((2R)-tetrahydro-5-hydroxy-2-furanyl)ethyl)-, (3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)- | 143629-44-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: Oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one, 8,10,16,20,24,26,28,30,32,34,26,28-dodecahydroxy-23-(alpha-D-mannopyranosyloxy)-3,7,9,15,19,21,31,33-octamethyl-42-((1R)-1-((2R)-tetrahydro-5-hydroxy-2-furanyl)ethyl)-, (3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-
• 英文别名: (3Z,17E,21E,39E)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-42-[(1R)-1-(5-hydroxyoxolan-2-yl)ethyl]-3,7,9,15,19,21,31,33-octamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one
• CAS: 143629-44-1
• 化学式: C₆₁H₁₀₆O₂₂
• 分子量: 1191.5
• InChiKey: ZQGMDHCZCLGAKC-ZHTAXGGHSA-N

物化性质

• 沸点：
  1271.8±65.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  83
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  398
• 氢给体数：
  17
• 氢受体数：
  22