[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 21,27,28,29,32,33,34-heptahydroxy-5,6,12,12,19-pentamethyl-24,37-dioxo-1-[(3,4,5-trihydroxybenzoyl)oxymethyl]-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 21,27,28,29,32,33,34-heptahydroxy-5,6,12,12,19-pentamethyl-24,37-dioxo-1-[(3,4,5-trihydroxybenzoyl)oxymethyl]-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate
• 化学式: C₅₇H₆₈O₂₃
• 分子量: 1121.1
• InChiKey: MATHFHYNLBDCNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  80
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  398
• 氢给体数：
  14
• 氢受体数：
  23