2-[14-(Hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-52-methyl-7-oxo-4,12-dioxa-57,60,72-triazaoctadecacyclo[53.8.6.216,19.120,57.122,26.125,29.153,56.165,69.02,11.03,8.020,42.022,41.023,38.024,35.045,51.048,52.033,73.061,71]hexaheptaconta-2(11),3(8),5,9,16,18,23(38),24(35),25(73),29,31,33,36,39,53,55,65(70),66,68,75-icosaen-43,62-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-52-methyl-7-oxo-4,12-dioxa-57,60,72-triazaoctadecacyclo[53.8.6.216,19.120,57.122,26.125,29.153,56.165,69.02,11.03,8.020,42.022,41.023,38.024,35.045,51.048,52.033,73.061,71]hexaheptaconta-2(11),3(8),5,9,16,18,23(38),24(35),25(73),29,31,33,36,39,53,55,65(70),66,68,75-icosaen-43,62-diyn-17-yl]guanidine
• 英文别名: 2-[14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-52-methyl-7-oxo-4,12-dioxa-57,60,72-triazaoctadecacyclo[53.8.6.216,19.120,57.122,26.125,29.153,56.165,69.02,11.03,8.020,42.022,41.023,38.024,35.045,51.048,52.033,73.061,71]hexaheptaconta-2(11),3(8),5,9,16,18,23(38),24(35),25(73),29,31,33,36,39,53,55,65(70),66,68,75-icosaen-43,62-diyn-17-yl]guanidine
• 化学式: C₉₂H₈₆N₆O₈
• 分子量: 1403.7
• InChiKey: ITBVNMLBVSURSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  106
• 可旋转键数：
  10
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  210
• 氢给体数：
  7
• 氢受体数：
  11