29-Ethyl-14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxyspiro[4,12-dioxa-23,26,28-triazaoctacyclo[20.15.2.216,19.132,36.02,11.03,8.021,26.027,31]dotetraconta-2(11),3(8),5,9,16(42),17,19(41),27(31),29,32,34,36(40)-dodecaen-38-yne-20,1'-cyclohexane]-7-one

• 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: 29-Ethyl-14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxyspiro[4,12-dioxa-23,26,28-triazaoctacyclo[20.15.2.216,19.132,36.02,11.03,8.021,26.027,31]dotetraconta-2(11),3(8),5,9,16(42),17,19(41),27(31),29,32,34,36(40)-dodecaen-38-yne-20,1'-cyclohexane]-7-one
• 英文别名: 29-ethyl-14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxyspiro[4,12-dioxa-23,26,28-triazaoctacyclo[20.15.2.216,19.132,36.02,11.03,8.021,26.027,31]dotetraconta-2(11),3(8),5,9,16(42),17,19(41),27(31),29,32,34,36(40)-dodecaen-38-yne-20,1'-cyclohexane]-7-one
• 化学式: C₆₃H₆₅N₃O₈
• 分子量: 992.2
• InChiKey: WKROBLITHJIUIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  74
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  10