[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)peroxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[4,5,13,21,22-pentahydroxy-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-14-[(3,4,5-trihydroxybenzoyl)oxymethyl]-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)peroxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[4,5,13,21,22-pentahydroxy-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-14-[(3,4,5-trihydroxybenzoyl)oxymethyl]-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoate
• 英文别名: [3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)peroxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[4,5,13,21,22-pentahydroxy-9,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-14-[(3,4,5-trihydroxybenzoyl)oxymethyl]-2,10,15,17-tetraoxatetracyclo[17.3.1.03,8.011,16]tricosa-1(23),3,5,7,19,21-hexaen-6-yl]oxy]benzoate
• 化学式: C₇₅H₅₄O₅₀
• 分子量: 1755.2
• InChiKey: LMNRGRFQEDPBIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  125
• 可旋转键数：
  20
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  818
• 氢给体数：
  26
• 氢受体数：
  50