[6-Methyl-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[(3,4,5,22,23-pentahydroxy-11,12,13-trimethyl-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-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: [6-Methyl-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[(3,4,5,22,23-pentahydroxy-11,12,13-trimethyl-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl)oxy]benzoate
• 英文别名: [6-methyl-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-[(3,4,5,22,23-pentahydroxy-11,12,13-trimethyl-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-21-yl)oxy]benzoate
• 化学式: C₅₈H₅₂O₃₂
• 分子量: 1261.0
• InChiKey: XNTMFHCBZXYPAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  90
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  529
• 氢给体数：
  17
• 氢受体数：
  32