3-[5-Hydroxy-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-17-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-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-[5-Hydroxy-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-17-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
• 英文别名: 3-[5-hydroxy-3,4-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-17-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-one
• 化学式: C₅₄H₈₈O₂₁
• 分子量: 1073.3
• InChiKey: IJWRDCGWZHZENT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  75
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  331
• 氢给体数：
  11
• 氢受体数：
  21