[1-(2-acetyl-1-methyl-5-oxocyclopentyl)-2-[6-[5-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4a-hydroxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethyl] 3-phenylprop-2-enoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-(2-acetyl-1-methyl-5-oxocyclopentyl)-2-[6-[5-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4a-hydroxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethyl] 3-phenylprop-2-enoate
• 化学式: C₆₂H₉₀O₂₇
• 分子量: 1267.4
• InChiKey: JIPFFVLTBPWCIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  89
• 可旋转键数：
  22
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  391
• 氢给体数：
  10
• 氢受体数：
  27