[3-[5-[5-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-17-[1-(3-phenylprop-2-enoyloxy)ethyl]-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: [3-[5-[5-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-17-[1-(3-phenylprop-2-enoyloxy)ethyl]-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
• 英文别名: [3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-17-[1-(3-phenylprop-2-enoyloxy)ethyl]-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
• 化学式: C₅₇H₈₁NO₁₈
• 分子量: 1068.2
• InChiKey: PLFPEHLKQZNQDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  76
• 可旋转键数：
  17
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  250
• 氢给体数：
  5
• 氢受体数：
  19