3-(47-Amino-18,32,42-trihydroxyspiro[28,35-dioxa-51,52-dithia-22,26,48-triazatetradecacyclo[28.19.4.243,46.13,6.123,26.01,45.03,19.05,13.05,16.09,13.019,44.020,24.027,39.029,34]heptapentaconta-7,17,20,23(56),24,29(34),30,32,43,45,54-undecaen-36,40-diyne-38,1'-cyclopentane]-31-yl)-1-[9,11-dihydroxy-7-(hydroxymethyl)-5,6-dithiapentacyclo[8.8.4.01,14.04,20.013,21]docosa-2,21-dien-8-yl]propan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 3-(47-Amino-18,32,42-trihydroxyspiro[28,35-dioxa-51,52-dithia-22,26,48-triazatetradecacyclo[28.19.4.243,46.13,6.123,26.01,45.03,19.05,13.05,16.09,13.019,44.020,24.027,39.029,34]heptapentaconta-7,17,20,23(56),24,29(34),30,32,43,45,54-undecaen-36,40-diyne-38,1'-cyclopentane]-31-yl)-1-[9,11-dihydroxy-7-(hydroxymethyl)-5,6-dithiapentacyclo[8.8.4.01,14.04,20.013,21]docosa-2,21-dien-8-yl]propan-1-one
• 英文别名: 3-(47-amino-18,32,42-trihydroxyspiro[28,35-dioxa-51,52-dithia-22,26,48-triazatetradecacyclo[28.19.4.243,46.13,6.123,26.01,45.03,19.05,13.05,16.09,13.019,44.020,24.027,39.029,34]heptapentaconta-7,17,20,23(56),24,29(34),30,32,43,45,54-undecaen-36,40-diyne-38,1'-cyclopentane]-31-yl)-1-[9,11-dihydroxy-7-(hydroxymethyl)-5,6-dithiapentacyclo[8.8.4.01,14.04,20.013,21]docosa-2,21-dien-8-yl]propan-1-one
• 化学式: C₇₈H₈₆N₄O₉S₄
• 分子量: 1351.8
• InChiKey: VOESQZGTJUEYDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  95
• 可旋转键数：
  5
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  317
• 氢给体数：
  9
• 氢受体数：
  15