11-Ethyl-33,36-bis(hydroxymethyl)-24-(4-hydroxyphenyl)-28-(3-hydroxy-5-phenylpent-4-enoxy)-29-methoxyspiro[23,31-dioxa-5,8,10-triazaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,24,27,29,35,38-dodecaene-2,1'-cyclopentane]-26-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: 11-Ethyl-33,36-bis(hydroxymethyl)-24-(4-hydroxyphenyl)-28-(3-hydroxy-5-phenylpent-4-enoxy)-29-methoxyspiro[23,31-dioxa-5,8,10-triazaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,24,27,29,35,38-dodecaene-2,1'-cyclopentane]-26-one
• 英文别名: 11-ethyl-33,36-bis(hydroxymethyl)-24-(4-hydroxyphenyl)-28-(3-hydroxy-5-phenylpent-4-enoxy)-29-methoxyspiro[23,31-dioxa-5,8,10-triazaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,24,27,29,35,38-dodecaene-2,1'-cyclopentane]-26-one
• 化学式: C₆₁H₆₇N₃O₉
• 分子量: 986.2
• InChiKey: AURBUSBJEDCHOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  73
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  11