[6-[4,5-Dihydroxy-6-[4-hydroxy-2-[[10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methyl-3-oxopent-4-enyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-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-[4,5-Dihydroxy-6-[4-hydroxy-2-[[10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methyl-3-oxopent-4-enyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate
• 英文别名: [6-[4,5-dihydroxy-6-[4-hydroxy-2-[[10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methyl-3-oxopent-4-enyl)-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₆₀H₉₄O₃₄S₂
• 分子量: 1423.5
• InChiKey: XMANEHWCOFYLNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.1
• 重原子数：
  96
• 可旋转键数：
  22
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  532
• 氢给体数：
  14
• 氢受体数：
  34