[3,4-Diacetyloxy-6-[[3,4-diacetyloxy-6-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-[[15-[7-[(4,5-dimethyl-2-oxooxolan-3-yl)amino]-6-methyl-7-oxohepta-3,5-dien-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

• 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: [3,4-Diacetyloxy-6-[[3,4-diacetyloxy-6-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-[[15-[7-[(4,5-dimethyl-2-oxooxolan-3-yl)amino]-6-methyl-7-oxohepta-3,5-dien-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• 英文别名: [3,4-diacetyloxy-6-[[3,4-diacetyloxy-6-[4,5-diacetyloxy-6-(acetyloxymethyl)-2-[[15-[7-[(4,5-dimethyl-2-oxooxolan-3-yl)amino]-6-methyl-7-oxohepta-3,5-dien-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-5-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• 化学式: C₉₆H₁₃₅NO₄₃
• 分子量: 1991.1
• InChiKey: MJXNAMNWJOSVIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  140
• 可旋转键数：
  49
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  542
• 氢给体数：
  1
• 氢受体数：
  43