methyl 4-[2-[6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl 4-[2-[6-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-2-oxoethyl]-5-ethylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
• 化学式: C₄₆H₅₈O₂₅
• 分子量: 1010.9
• InChiKey: XYFHDQJSKYADBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  71
• 可旋转键数：
  20
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  386
• 氢给体数：
  12
• 氢受体数：
  25