4,12,14,20,39-Pentahydroxy-13-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-10-(hydroxymethoxy)-45-methylspiro[2,30-dioxa-16,17-dithia-28,35,52-triazadecacyclo[39.15.4.13,7.125,28.06,18.021,26.034,38.042,47.047,58.054,58]dohexaconta-3,5,7(62),21,23,25(61),26-heptaen-48-yne-51,1'-cyclohexane]-36-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4,12,14,20,39-Pentahydroxy-13-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-10-(hydroxymethoxy)-45-methylspiro[2,30-dioxa-16,17-dithia-28,35,52-triazadecacyclo[39.15.4.13,7.125,28.06,18.021,26.034,38.042,47.047,58.054,58]dohexaconta-3,5,7(62),21,23,25(61),26-heptaen-48-yne-51,1'-cyclohexane]-36-one
• 英文别名: 4,12,14,20,39-pentahydroxy-13-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-10-(hydroxymethoxy)-45-methylspiro[2,30-dioxa-16,17-dithia-28,35,52-triazadecacyclo[39.15.4.13,7.125,28.06,18.021,26.034,38.042,47.047,58.054,58]dohexaconta-3,5,7(62),21,23,25(61),26-heptaen-48-yne-51,1'-cyclohexane]-36-one
• 化学式: C₇₁H₉₇N₃O₁₃S₂
• 分子量: 1264.7
• InChiKey: UDKOUPXHRQKSHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10
• 重原子数：
  89
• 可旋转键数：
  6
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  284
• 氢给体数：
  9
• 氢受体数：
  16