2-[14-(Hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-40-methyl-7-oxo-4,12-dioxa-45,48,60-triazatridecacyclo[41.8.6.216,19.120,45.141,44.153,57.02,11.03,8.020,32.022,31.023,28.036,40.049,59]dohexaconta-2(11),3(8),5,9,16,18,23,25,27,29,41,43,53(58),54,56,61-hexadecaen-33,50-diyn-17-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-[14-(Hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-40-methyl-7-oxo-4,12-dioxa-45,48,60-triazatridecacyclo[41.8.6.216,19.120,45.141,44.153,57.02,11.03,8.020,32.022,31.023,28.036,40.049,59]dohexaconta-2(11),3(8),5,9,16,18,23,25,27,29,41,43,53(58),54,56,61-hexadecaen-33,50-diyn-17-yl]guanidine
• 英文别名: 2-[14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-40-methyl-7-oxo-4,12-dioxa-45,48,60-triazatridecacyclo[41.8.6.216,19.120,45.141,44.153,57.02,11.03,8.020,32.022,31.023,28.036,40.049,59]dohexaconta-2(11),3(8),5,9,16,18,23,25,27,29,41,43,53(58),54,56,61-hexadecaen-33,50-diyn-17-yl]guanidine
• 化学式: C₇₈H₇₆N₆O₈
• 分子量: 1225.5
• InChiKey: NVZIHOWZDAEMTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  92
• 可旋转键数：
  10
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11