2-[20-(Carboxymethyl)-13,14,18,29,33,34-hexahydroxy-2,10,17,21,26,30-hexaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,16,22,25,31-heptaoxaheptacyclo[26.7.1.111,15.04,23.07,24.032,36.019,37]heptatriaconta-1(35),11,13,15(37),32(36),33-hexaen-27-yl]acetic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 2-[20-(Carboxymethyl)-13,14,18,29,33,34-hexahydroxy-2,10,17,21,26,30-hexaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,16,22,25,31-heptaoxaheptacyclo[26.7.1.111,15.04,23.07,24.032,36.019,37]heptatriaconta-1(35),11,13,15(37),32(36),33-hexaen-27-yl]acetic acid
• 英文别名: 2-[20-(carboxymethyl)-13,14,18,29,33,34-hexahydroxy-2,10,17,21,26,30-hexaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,16,22,25,31-heptaoxaheptacyclo[26.7.1.111,15.04,23.07,24.032,36.019,37]heptatriaconta-1(35),11,13,15(37),32(36),33-hexaen-27-yl]acetic acid
• 化学式: C₄₁H₃₂O₂₈
• 分子量: 972.7
• InChiKey: RQCWVRZKLJDIFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  69
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  450
• 氢给体数：
  11
• 氢受体数：
  28