2-[2-(2-Benzylbutylidene)-9,30,35-trihydroxy-30-methyl-47-[2-(methylamino)piperidin-4-yl]-4,52-dioxo-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(63),23,25,49,53-dodecaen-32-yn-31-yl]acetaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[2-(2-Benzylbutylidene)-9,30,35-trihydroxy-30-methyl-47-[2-(methylamino)piperidin-4-yl]-4,52-dioxo-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(63),23,25,49,53-dodecaen-32-yn-31-yl]acetaldehyde
• 英文别名: 2-[2-(2-benzylbutylidene)-9,30,35-trihydroxy-30-methyl-47-[2-(methylamino)piperidin-4-yl]-4,52-dioxo-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(63),23,25,49,53-dodecaen-32-yn-31-yl]acetaldehyde
• 化学式: C₈₀H₉₄N₄O₈
• 分子量: 1239.6
• InChiKey: IONXDEJHGYEUCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  92
• 可旋转键数：
  8
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  179
• 氢给体数：
  7
• 氢受体数：
  12