1-(4-Amino-9-hydroxyspiro[16,23-dioxa-36,37-dithia-3,25,29-triazaoctacyclo[19.13.4.125,28.05,34.08,33.012,24.017,22.027,31]nonatriaconta-5(34),6,8(33),17(22),18,20,26,28(39),30-nonaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-4-[hydroxy-(6-hydroxy-4-methylcyclohex-2-en-1-yl)methyl]nonan-3-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: 1-(4-Amino-9-hydroxyspiro[16,23-dioxa-36,37-dithia-3,25,29-triazaoctacyclo[19.13.4.125,28.05,34.08,33.012,24.017,22.027,31]nonatriaconta-5(34),6,8(33),17(22),18,20,26,28(39),30-nonaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-4-[hydroxy-(6-hydroxy-4-methylcyclohex-2-en-1-yl)methyl]nonan-3-one
• 英文别名: 1-(4-amino-9-hydroxyspiro[16,23-dioxa-36,37-dithia-3,25,29-triazaoctacyclo[19.13.4.125,28.05,34.08,33.012,24.017,22.027,31]nonatriaconta-5(34),6,8(33),17(22),18,20,26,28(39),30-nonaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-4-[hydroxy-(6-hydroxy-4-methylcyclohex-2-en-1-yl)methyl]nonan-3-one
• 化学式: C₅₃H₆₂N₄O₆S₂
• 分子量: 915.2
• InChiKey: QQUDMENFFCLHSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  65
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  206
• 氢给体数：
  6
• 氢受体数：
  10