2-[53-(Hydroxymethyl)-44-(4-hydroxyphenyl)-48-(3-hydroxy-5-phenylpent-4-enoxy)-49-methoxy-29-methyl-46-oxo-43,51-dioxa-31,61,64-triazahexadecacyclo[30.26.6.23,6.218,25.255,58.130,33.134,38.01,21.03,20.04,17.05,14.07,12.025,29.041,50.042,47.059,64]doheptaconta-4(17),5,7,9,11,13,15,18,30(68),32,34,36,38(67),41,44,47,49,55,57,65-icosaen-22-yn-56-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-[53-(Hydroxymethyl)-44-(4-hydroxyphenyl)-48-(3-hydroxy-5-phenylpent-4-enoxy)-49-methoxy-29-methyl-46-oxo-43,51-dioxa-31,61,64-triazahexadecacyclo[30.26.6.23,6.218,25.255,58.130,33.134,38.01,21.03,20.04,17.05,14.07,12.025,29.041,50.042,47.059,64]doheptaconta-4(17),5,7,9,11,13,15,18,30(68),32,34,36,38(67),41,44,47,49,55,57,65-icosaen-22-yn-56-yl]guanidine
• 英文别名: 2-[53-(hydroxymethyl)-44-(4-hydroxyphenyl)-48-(3-hydroxy-5-phenylpent-4-enoxy)-49-methoxy-29-methyl-46-oxo-43,51-dioxa-31,61,64-triazahexadecacyclo[30.26.6.23,6.218,25.255,58.130,33.134,38.01,21.03,20.04,17.05,14.07,12.025,29.041,50.042,47.059,64]doheptaconta-4(17),5,7,9,11,13,15,18,30(68),32,34,36,38(67),41,44,47,49,55,57,65-icosaen-22-yn-56-yl]guanidine
• 化学式: C₈₈H₈₆N₆O₈
• 分子量: 1355.7
• InChiKey: QPLNSSQVYIDZLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  102
• 可旋转键数：
  10
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11