1-[4,5-Dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxycyclohexa-1,3-dien-1-yl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-2-yl]oxy-7-methyl-6-[3-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxybenzoyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 1-[4,5-Dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxycyclohexa-1,3-dien-1-yl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-2-yl]oxy-7-methyl-6-[3-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxybenzoyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
• 英文别名: 1-[4,5-dihydroxy-3-[3-(4-hydroxy-3,5-dimethoxycyclohexa-1,3-dien-1-yl)prop-2-enoyloxy]-6-(hydroxymethyl)oxan-2-yl]oxy-7-methyl-6-[3-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxybenzoyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
• 化学式: C₄₇H₅₄O₂₃
• 分子量: 986.9
• InChiKey: KTYSKFHJHVCZKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  70
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  343
• 氢给体数：
  9
• 氢受体数：
  23