[6-[4,5-Dihydroxy-6-[4-hydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-(3,5-dihydroxy-4-methoxy-6-methyloxan-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-[[2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate
• 英文别名: [6-[4,5-dihydroxy-6-[4-hydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate
• 化学式: C₅₄H₈₆O₂₇S₂
• 分子量: 1231.4
• InChiKey: FLYGZQAQCGDHQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  83
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  412
• 氢给体数：
  9
• 氢受体数：
  27