[2-(6,20-Diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)phenyl]-[4-[4-[[5-(dihydroxyamino)-2-hydroxyphenyl]diazenyl]-3-hydroxyphenyl]piperazin-1-yl]methanone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: [2-(6,20-Diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)phenyl]-[4-[4-[[5-(dihydroxyamino)-2-hydroxyphenyl]diazenyl]-3-hydroxyphenyl]piperazin-1-yl]methanone
• 英文别名: [2-(6,20-diethyl-7,7,9,17,19,19-hexamethyl-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-13-yl)phenyl]-[4-[4-[[5-(dihydroxyamino)-2-hydroxyphenyl]diazenyl]-3-hydroxyphenyl]piperazin-1-yl]methanone
• 化学式: C52H56N7O6+
• 分子量: 875.0
• InChiKey: NWBSVOYUFDZQKC-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  65
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  11