2-[17'-[6-[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-hexaene-12-carbonyl]-2,3,4-trihydroxyphenoxy]-3,6a,10',11',12',15',31',32',36',37'-decahydroxy-2',5,7',20',28',41'-hexaoxo-25'-(3,4,5-trihydroxybenzoyl)oxyspiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-16'-yl]oxy-3,4,5-trihydroxybenzoic 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-[17'-[6-[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-hexaene-12-carbonyl]-2,3,4-trihydroxyphenoxy]-3,6a,10',11',12',15',31',32',36',37'-decahydroxy-2',5,7',20',28',41'-hexaoxo-25'-(3,4,5-trihydroxybenzoyl)oxyspiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-16'-yl]oxy-3,4,5-trihydroxybenzoic acid
• 化学式: C₈₈H₆₂O₅₈
• 分子量: 2047.4
• InChiKey: BZBQCKJYEIYFDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  146
• 可旋转键数：
  13
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  959
• 氢给体数：
  30
• 氢受体数：
  58