[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[12,13,14,17,18,19,32,33,38,39-decahydroxy-2,9,22,28-tetraoxo-25-(3,4,5-trihydroxybenzoyl)oxy-3,5,8,23,27,35,36-heptaoxaheptacyclo[35.3.1.04,26.06,24.010,15.016,21.029,34]hentetraconta-1(40),10,12,14,16,18,20,29,31,33,37(41),38-dodecaen-31-yl]oxy]-3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[12,13,14,17,18,19,32,33,38,39-decahydroxy-2,9,22,28-tetraoxo-25-(3,4,5-trihydroxybenzoyl)oxy-3,5,8,23,27,35,36-heptaoxaheptacyclo[35.3.1.04,26.06,24.010,15.016,21.029,34]hentetraconta-1(40),10,12,14,16,18,20,29,31,33,37(41),38-dodecaen-31-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[[12,13,14,17,18,19,32,33,38,39-decahydroxy-2,9,22,28-tetraoxo-25-(3,4,5-trihydroxybenzoyl)oxy-3,5,8,23,27,35,36-heptaoxaheptacyclo[35.3.1.04,26.06,24.010,15.016,21.029,34]hentetraconta-1(40),10,12,14,16,18,20,29,31,33,37(41),38-dodecaen-31-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₇₅H₅₂O₄₉
• 分子量: 1737.2
• InChiKey: XINYTXIQQBGXMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  124
• 可旋转键数：
  11
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  809
• 氢给体数：
  26
• 氢受体数：
  49