3',4',5',12-Tetrahydroxy-28,29-dimethoxyspiro[6,31,34-trioxa-3-azaoctacyclo[21.10.1.117,21.02,7.09,33.010,15.024,32.025,30]pentatriaconta-1(33),2(7),8,10(15),11,13,17(35),18,20,25(30),26,28-dodecaene-5,6'-oxane]-2'-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3',4',5',12-Tetrahydroxy-28,29-dimethoxyspiro[6,31,34-trioxa-3-azaoctacyclo[21.10.1.117,21.02,7.09,33.010,15.024,32.025,30]pentatriaconta-1(33),2(7),8,10(15),11,13,17(35),18,20,25(30),26,28-dodecaene-5,6'-oxane]-2'-carboxylic acid
• 英文别名: 3',4',5',12-tetrahydroxy-28,29-dimethoxyspiro[6,31,34-trioxa-3-azaoctacyclo[21.10.1.117,21.02,7.09,33.010,15.024,32.025,30]pentatriaconta-1(33),2(7),8,10(15),11,13,17(35),18,20,25(30),26,28-dodecaene-5,6'-oxane]-2'-carboxylic acid
• 化学式: C₃₈H₃₅NO₁₂
• 分子量: 697.7
• InChiKey: ORKWDYYCDUGSFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  51
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  186
• 氢给体数：
  6
• 氢受体数：
  13