2-[29-Ethyl-14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-7-oxospiro[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),5,9,16,18,27(31),29,32,34,36(40),41-dodecaen-38-yne-20,1'-cyclohexane]-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-[29-Ethyl-14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-7-oxospiro[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),5,9,16,18,27(31),29,32,34,36(40),41-dodecaen-38-yne-20,1'-cyclohexane]-17-yl]guanidine
• 英文别名: 2-[29-ethyl-14-(hydroxymethyl)-5-(4-hydroxyphenyl)-9-(3-hydroxy-5-phenylpent-4-enoxy)-10-methoxy-7-oxospiro[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),5,9,16,18,27(31),29,32,34,36(40),41-dodecaen-38-yne-20,1'-cyclohexane]-17-yl]guanidine
• 化学式: C₆₄H₆₈N₆O₈
• 分子量: 1049.3
• InChiKey: AOMNUFFKOAHCSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  78
• 可旋转键数：
  11
• 环数：
  12.0
• 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