14,22,24,30,63-Pentahydroxy-23-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-20-(hydroxymethoxy)-58-methylspiro[12,40-dioxa-26,27-dithia-6,38,45-triazaundecacyclo[42.15.5.28,11.113,17.135,38.01,9.016,28.031,36.047,52.047,64.056,60]octahexaconta-13,15,17(66),31,33,35(65),36-heptaen-2,53-diyne-5,1'-cyclohexane]-46-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 14,22,24,30,63-Pentahydroxy-23-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-20-(hydroxymethoxy)-58-methylspiro[12,40-dioxa-26,27-dithia-6,38,45-triazaundecacyclo[42.15.5.28,11.113,17.135,38.01,9.016,28.031,36.047,52.047,64.056,60]octahexaconta-13,15,17(66),31,33,35(65),36-heptaen-2,53-diyne-5,1'-cyclohexane]-46-one
• 英文别名: 14,22,24,30,63-pentahydroxy-23-[[4-hydroxy-3-(hydroxymethoxy)-5-methoxyphenyl]methyl]-20-(hydroxymethoxy)-58-methylspiro[12,40-dioxa-26,27-dithia-6,38,45-triazaundecacyclo[42.15.5.28,11.113,17.135,38.01,9.016,28.031,36.047,52.047,64.056,60]octahexaconta-13,15,17(66),31,33,35(65),36-heptaen-2,53-diyne-5,1'-cyclohexane]-46-one
• 化学式: C₇₇H₁₀₃N₃O₁₄S₂
• 分子量: 1358.8
• InChiKey: HATHRYLVXNWHJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  96
• 可旋转键数：
  7
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  305
• 氢给体数：
  10
• 氢受体数：
  17