[4a,6,8,12b-Tetrahydroxy-9-[5-hydroxy-4-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-1-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3-methyl-7,12-dioxo-1,4,5,6,6a,12a-hexahydrobenzo[a]anthracen-5-yl] acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [4a,6,8,12b-Tetrahydroxy-9-[5-hydroxy-4-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-1-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3-methyl-7,12-dioxo-1,4,5,6,6a,12a-hexahydrobenzo[a]anthracen-5-yl] acetate
• 英文别名: [4a,6,8,12b-tetrahydroxy-9-[5-hydroxy-4-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-1-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3-methyl-7,12-dioxo-1,4,5,6,6a,12a-hexahydrobenzo[a]anthracen-5-yl] acetate
• 化学式: C₅₃H₇₆O₂₄
• 分子量: 1097.2
• InChiKey: BQHZAPZKMMCCIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  77
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  344
• 氢给体数：
  9
• 氢受体数：
  24