2-[7-(Hydroxymethyl)-16-(4-hydroxyphenyl)-12-(3-hydroxy-5-phenylpent-4-enoxy)-11-methoxy-31-methyl-14-oxo-9,17-dioxa-29,53,56-triazadodecacyclo[26.22.6.22,5.122,26.127,30.01,39.010,19.013,18.031,35.040,49.043,48.051,56]hexaconta-2,4,10,12,15,18,22(58),23,25,27,30(57),41,43,45,47,59-hexadecaen-37-yn-4-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-[7-(Hydroxymethyl)-16-(4-hydroxyphenyl)-12-(3-hydroxy-5-phenylpent-4-enoxy)-11-methoxy-31-methyl-14-oxo-9,17-dioxa-29,53,56-triazadodecacyclo[26.22.6.22,5.122,26.127,30.01,39.010,19.013,18.031,35.040,49.043,48.051,56]hexaconta-2,4,10,12,15,18,22(58),23,25,27,30(57),41,43,45,47,59-hexadecaen-37-yn-4-yl]guanidine
• 英文别名: 2-[7-(hydroxymethyl)-16-(4-hydroxyphenyl)-12-(3-hydroxy-5-phenylpent-4-enoxy)-11-methoxy-31-methyl-14-oxo-9,17-dioxa-29,53,56-triazadodecacyclo[26.22.6.22,5.122,26.127,30.01,39.010,19.013,18.031,35.040,49.043,48.051,56]hexaconta-2,4,10,12,15,18,22(58),23,25,27,30(57),41,43,45,47,59-hexadecaen-37-yn-4-yl]guanidine
• 化学式: C₇₆H₇₈N₆O₈
• 分子量: 1203.5
• InChiKey: KUXZZDVXRWCXIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  90
• 可旋转键数：
  10
• 环数：
  15.0
• 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