[6-(3-Acetyl-2'-hydroxy-3,3a,4',4',7a,7'a-hexamethyl-7-oxospiro[1,2,4,5-tetrahydroindene-6,1'-2,3,3a,5,6,7-hexahydroindene]-5'-yl)oxy-5-[5-[4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-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: [6-(3-Acetyl-2'-hydroxy-3,3a,4',4',7a,7'a-hexamethyl-7-oxospiro[1,2,4,5-tetrahydroindene-6,1'-2,3,3a,5,6,7-hexahydroindene]-5'-yl)oxy-5-[5-[4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyoxan-3-yl] hydrogen sulfate
• 英文别名: [6-(3-acetyl-2'-hydroxy-3,3a,4',4',7a,7'a-hexamethyl-7-oxospiro[1,2,4,5-tetrahydroindene-6,1'-2,3,3a,5,6,7-hexahydroindene]-5'-yl)oxy-5-[5-[4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-hydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxyoxan-3-yl] hydrogen sulfate
• 化学式: C₅₄H₈₈O₃₅S₃
• 分子量: 1393.5
• InChiKey: AAFCPOTUZMQGHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  92
• 可旋转键数：
  20
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  554
• 氢给体数：
  13
• 氢受体数：
  35