[6-[4,5-dihydroxy-2-[[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-chromen-1-ium-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: [6-[4,5-dihydroxy-2-[[7-hydroxy-2-(4-hydroxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-chromen-1-ium-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
• 化学式: C48H59O28+
• 分子量: 1084.0
• InChiKey: SBRPBHVRGXYFMD-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  76
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  445
• 氢给体数：
  18
• 氢受体数：
  27