2-[57-(Hydroxymethyl)-48-(4-hydroxyphenyl)-52-(3-hydroxy-5-phenylpent-4-enoxy)-53-methoxy-33-methyl-50-oxo-47,55-dioxa-35,65,68-triazaheptadecacyclo[34.26.6.259,62.13,7.16,10.134,37.138,42.01,23.03,22.04,19.05,16.026,32.029,33.045,54.046,51.063,68.014,73]tetraheptaconta-4(19),5(16),6(73),10,12,14,17,20,34(72),36,38,40,42(71),45,48,51,53,59,61,69-icosaen-24-yn-60-yl]guanidine

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-[57-(Hydroxymethyl)-48-(4-hydroxyphenyl)-52-(3-hydroxy-5-phenylpent-4-enoxy)-53-methoxy-33-methyl-50-oxo-47,55-dioxa-35,65,68-triazaheptadecacyclo[34.26.6.259,62.13,7.16,10.134,37.138,42.01,23.03,22.04,19.05,16.026,32.029,33.045,54.046,51.063,68.014,73]tetraheptaconta-4(19),5(16),6(73),10,12,14,17,20,34(72),36,38,40,42(71),45,48,51,53,59,61,69-icosaen-24-yn-60-yl]guanidine
• 英文别名: 2-[57-(hydroxymethyl)-48-(4-hydroxyphenyl)-52-(3-hydroxy-5-phenylpent-4-enoxy)-53-methoxy-33-methyl-50-oxo-47,55-dioxa-35,65,68-triazaheptadecacyclo[34.26.6.259,62.13,7.16,10.134,37.138,42.01,23.03,22.04,19.05,16.026,32.029,33.045,54.046,51.063,68.014,73]tetraheptaconta-4(19),5(16),6(73),10,12,14,17,20,34(72),36,38,40,42(71),45,48,51,53,59,61,69-icosaen-24-yn-60-yl]guanidine
• 化学式: C₉₀H₈₈N₆O₈
• 分子量: 1381.7
• InChiKey: KPJBDAHRNDSPRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  104
• 可旋转键数：
  10
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11