[36-(Diaminomethylideneamino)-11-ethyl-33-(hydroxymethyl)-24-(4-hydroxyphenyl)-28-(3-hydroxy-5-phenylpent-4-enoxy)-29-methoxyspiro[23,31-dioxa-5,8-diaza-10-azanidaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,27,29,35,38-undecaene-2,1'-cyclohexane]-26-ylidene]oxidanium

• 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: [36-(Diaminomethylideneamino)-11-ethyl-33-(hydroxymethyl)-24-(4-hydroxyphenyl)-28-(3-hydroxy-5-phenylpent-4-enoxy)-29-methoxyspiro[23,31-dioxa-5,8-diaza-10-azanidaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,27,29,35,38-undecaene-2,1'-cyclohexane]-26-ylidene]oxidanium
• 英文别名: [36-(diaminomethylideneamino)-11-ethyl-33-(hydroxymethyl)-24-(4-hydroxyphenyl)-28-(3-hydroxy-5-phenylpent-4-enoxy)-29-methoxyspiro[23,31-dioxa-5,8-diaza-10-azanidaheptacyclo[33.2.2.114,18.03,8.09,13.021,30.022,27]tetraconta-1(37),9(13),11,14,16,18(40),21,27,29,35,38-undecaene-2,1'-cyclohexane]-26-ylidene]oxidanium
• 化学式: C62H72N6O8
• 分子量: 1029.3
• InChiKey: CITUZYNAWRWGIX-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  76
• 可旋转键数：
  11
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  179
• 氢给体数：
  7
• 氢受体数：
  11