[5-[5-[4-[3,5-Dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[[5,10-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-4-hydroxyoxan-3-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [5-[5-[4-[3,5-Dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[[5,10-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-4-hydroxyoxan-3-yl] hydrogen sulfate
• 英文别名: [5-[5-[4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-[[5,10-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-4-hydroxyoxan-3-yl] hydrogen sulfate
• 化学式: C₅₄H₈₈O₂₉S₂
• 分子量: 1265.4
• InChiKey: PUMOWUZMNKZGIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  85
• 可旋转键数：
  19
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  456
• 氢给体数：
  12
• 氢受体数：
  29