3-[6-[2-[3-[6-[[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(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]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonyl-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 3-[6-[2-[3-[6-[[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(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]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonyl-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid
• 英文别名: 3-[6-[2-[3-[6-[[3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(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]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxycarbonyl-2,3,4-trihydroxyphenoxy]-4,5-dihydroxybenzoic acid
• 化学式: C₇₅H₅₆O₄₉
• 分子量: 1741.2
• InChiKey: CBDZTDQRQIGPJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  124
• 可旋转键数：
  24
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  831
• 氢给体数：
  28
• 氢受体数：
  49