48-(2-Benzylbutylidene)-20,41-dihydroxy-16-(hydroxymethyl)-20-methyl-11-[2-(methylamino)piperidin-4-yl]-7,47-dioxa-22,31-diazadodecacyclo[30.20.2.11,49.111,14.124,28.133,37.04,8.013,23.038,43.044,52.045,49.05,55]octapentaconta-4,8,24,26,28(57),33,35,37(56),38(43),39,41,44,53-tridecaen-17-yne-6,46-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 48-(2-Benzylbutylidene)-20,41-dihydroxy-16-(hydroxymethyl)-20-methyl-11-[2-(methylamino)piperidin-4-yl]-7,47-dioxa-22,31-diazadodecacyclo[30.20.2.11,49.111,14.124,28.133,37.04,8.013,23.038,43.044,52.045,49.05,55]octapentaconta-4,8,24,26,28(57),33,35,37(56),38(43),39,41,44,53-tridecaen-17-yne-6,46-dione
• 英文别名: 48-(2-benzylbutylidene)-20,41-dihydroxy-16-(hydroxymethyl)-20-methyl-11-[2-(methylamino)piperidin-4-yl]-7,47-dioxa-22,31-diazadodecacyclo[30.20.2.11,49.111,14.124,28.133,37.04,8.013,23.038,43.044,52.045,49.05,55]octapentaconta-4,8,24,26,28(57),33,35,37(56),38(43),39,41,44,53-tridecaen-17-yne-6,46-dione
• 化学式: C₇₃H₈₂N₄O₇
• 分子量: 1127.5
• InChiKey: JATVPIIPFVWCOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  84
• 可旋转键数：
  7
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  161
• 氢给体数：
  7
• 氢受体数：
  11