2-(2-Benzyl-4-hydroxybutylidene)-9,30,35-trihydroxy-30-methyl-47-[2-(methylamino)piperidin-4-yl]-24-(propylaminomethyl)-3,51-dioxa-19,28-diazatridecacyclo[51.7.1.113,17.122,26.144,47.01,5.06,58.07,12.027,45.034,43.035,40.050,54.057,61]tetrahexaconta-5,7(12),8,10,13,15,17(64),22,24,26(63),49,53-dodecaen-32-yne-4,52-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)-9,30,35-trihydroxy-30-methyl-47-[2-(methylamino)piperidin-4-yl]-24-(propylaminomethyl)-3,51-dioxa-19,28-diazatridecacyclo[51.7.1.113,17.122,26.144,47.01,5.06,58.07,12.027,45.034,43.035,40.050,54.057,61]tetrahexaconta-5,7(12),8,10,13,15,17(64),22,24,26(63),49,53-dodecaen-32-yne-4,52-dione
• 英文别名: 2-(2-benzyl-4-hydroxybutylidene)-9,30,35-trihydroxy-30-methyl-47-[2-(methylamino)piperidin-4-yl]-24-(propylaminomethyl)-3,51-dioxa-19,28-diazatridecacyclo[51.7.1.113,17.122,26.144,47.01,5.06,58.07,12.027,45.034,43.035,40.050,54.057,61]tetrahexaconta-5,7(12),8,10,13,15,17(64),22,24,26(63),49,53-dodecaen-32-yne-4,52-dione
• 化学式: C₈₂H₁₀₁N₅O₈
• 分子量: 1284.7
• InChiKey: PLHIRWJMBFXOMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  95
• 可旋转键数：
  11
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  194
• 氢给体数：
  9
• 氢受体数：
  13