40-(2-Benzylbutylidene)-33-hydroxy-11-[2-(methylamino)piperidin-4-yl]-18-(propylaminomethyl)-7,39-dioxa-23-azaundecacyclo[22.20.2.11,41.111,14.116,20.125,29.04,8.030,35.036,44.037,41.05,47]pentaconta-4,8,16,18,20(49),25,27,29(48),30(35),31,33,36,45-tridecaene-6,38-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 40-(2-Benzylbutylidene)-33-hydroxy-11-[2-(methylamino)piperidin-4-yl]-18-(propylaminomethyl)-7,39-dioxa-23-azaundecacyclo[22.20.2.11,41.111,14.116,20.125,29.04,8.030,35.036,44.037,41.05,47]pentaconta-4,8,16,18,20(49),25,27,29(48),30(35),31,33,36,45-tridecaene-6,38-dione
• 英文别名: 40-(2-benzylbutylidene)-33-hydroxy-11-[2-(methylamino)piperidin-4-yl]-18-(propylaminomethyl)-7,39-dioxa-23-azaundecacyclo[22.20.2.11,41.111,14.116,20.125,29.04,8.030,35.036,44.037,41.05,47]pentaconta-4,8,16,18,20(49),25,27,29(48),30(35),31,33,36,45-tridecaene-6,38-dione
• 化学式: C₆₈H₇₈N₄O₅
• 分子量: 1031.4
• InChiKey: GBFCTDPDLUOPAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  77
• 可旋转键数：
  10
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  121
• 氢给体数：
  5
• 氢受体数：
  9