2-(2-Benzyl-4-hydroxybutylidene)-9,30-dihydroxy-34-(hydroxymethyl)-30-methyl-39-[2-(methylamino)piperidin-4-yl]-24-(propylaminomethyl)-3,43-dioxa-19,28-diazaundecacyclo[43.7.1.113,17.122,26.136,39.01,5.06,50.07,12.027,37.042,46.049,53]hexapentaconta-5,7(12),8,10,13,15,17(56),22,24,26(55),41,45-dodecaen-32-yne-4,44-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(2-Benzyl-4-hydroxybutylidene)-9,30-dihydroxy-34-(hydroxymethyl)-30-methyl-39-[2-(methylamino)piperidin-4-yl]-24-(propylaminomethyl)-3,43-dioxa-19,28-diazaundecacyclo[43.7.1.113,17.122,26.136,39.01,5.06,50.07,12.027,37.042,46.049,53]hexapentaconta-5,7(12),8,10,13,15,17(56),22,24,26(55),41,45-dodecaen-32-yne-4,44-dione
• 英文别名: 2-(2-benzyl-4-hydroxybutylidene)-9,30-dihydroxy-34-(hydroxymethyl)-30-methyl-39-[2-(methylamino)piperidin-4-yl]-24-(propylaminomethyl)-3,43-dioxa-19,28-diazaundecacyclo[43.7.1.113,17.122,26.136,39.01,5.06,50.07,12.027,37.042,46.049,53]hexapentaconta-5,7(12),8,10,13,15,17(56),22,24,26(55),41,45-dodecaen-32-yne-4,44-dione
• 化学式: C₇₅H₉₁N₅O₈
• 分子量: 1190.6
• InChiKey: UUCKPKTZLHMJFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  88
• 可旋转键数：
  12
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  194
• 氢给体数：
  9
• 氢受体数：
  13