16-[3,5-Dihydroxy-7-[4-[2-[hydroxy-(6-methyl-5,8-dioxonaphthalen-2-yl)methyl]butanoyloxy]-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-3,5,7,11,22,24,32,34,35-nonahydroxy-15,21,28,31-tetramethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-ene-36-sulfonic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 16-[3,5-Dihydroxy-7-[4-[2-[hydroxy-(6-methyl-5,8-dioxonaphthalen-2-yl)methyl]butanoyloxy]-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-3,5,7,11,22,24,32,34,35-nonahydroxy-15,21,28,31-tetramethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-ene-36-sulfonic acid
• 英文别名: 16-[3,5-dihydroxy-7-[4-[2-[hydroxy-(6-methyl-5,8-dioxonaphthalen-2-yl)methyl]butanoyloxy]-5-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethylnonan-2-yl]-3,5,7,11,22,24,32,34,35-nonahydroxy-15,21,28,31-tetramethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-ene-36-sulfonic acid
• 化学式: C₇₃H₁₁₆O₂₇S
• 分子量: 1457.8
• InChiKey: JZFWRXACOABOMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  101
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  459
• 氢给体数：
  13
• 氢受体数：
  27