3-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-12-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one

• 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-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-12-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
• 英文别名: 3-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxy-12-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
• 化学式: C₄₇H₇₈O₁₈
• 分子量: 931.1
• InChiKey: VUZWRGBQRLSGFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  65
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  295
• 氢给体数：
  11
• 氢受体数：
  18