9,28,34,36,44-Pentahydroxy-35-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-38-(hydroxymethoxy)-3-methylspiro[18,46-dioxa-31,32-dithia-13,20,52-triazanonacyclo[45.9.2.120,23.141,45.01,6.010,14.022,27.030,42.050,57]hexaconta-21,23(60),24,26,41(59),42,44-heptaen-55-yne-53,1'-cyclohexane]-12-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 9,28,34,36,44-Pentahydroxy-35-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-38-(hydroxymethoxy)-3-methylspiro[18,46-dioxa-31,32-dithia-13,20,52-triazanonacyclo[45.9.2.120,23.141,45.01,6.010,14.022,27.030,42.050,57]hexaconta-21,23(60),24,26,41(59),42,44-heptaen-55-yne-53,1'-cyclohexane]-12-one
• 英文别名: 9,28,34,36,44-pentahydroxy-35-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-38-(hydroxymethoxy)-3-methylspiro[18,46-dioxa-31,32-dithia-13,20,52-triazanonacyclo[45.9.2.120,23.141,45.01,6.010,14.022,27.030,42.050,57]hexaconta-21,23(60),24,26,41(59),42,44-heptaen-55-yne-53,1'-cyclohexane]-12-one
• 化学式: C₆₉H₉₅N₃O₁₃S₂
• 分子量: 1238.6
• InChiKey: UJYBSVKRGVCKNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  87
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  284
• 氢给体数：
  9
• 氢受体数：
  16