[6-[3,5-Dihydroxy-2-[4-hydroxy-6-[4-hydroxy-2-[[6-(4-hydroxy-4-methylpent-2-enyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [6-[3,5-Dihydroxy-2-[4-hydroxy-6-[4-hydroxy-2-[[6-(4-hydroxy-4-methylpent-2-enyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl hydrogen sulfate
• 英文别名: [6-[3,5-dihydroxy-2-[4-hydroxy-6-[4-hydroxy-2-[[6-(4-hydroxy-4-methylpent-2-enyl)-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-methoxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₆₀H₉₆O₃₃S₂
• 分子量: 1409.5
• InChiKey: BNAJDNIPZDRJOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  95
• 可旋转键数：
  21
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  515
• 氢给体数：
  14
• 氢受体数：
  33