3-Ethyl-5-[26-(2-hydroxy-2-methoxyethyl)-7-[(4-hydroxy-3-methoxyphenyl)methyl]-28-(methylaminomethyl)-17-methylimino-6-oxospiro[21,29-dioxa-13,14-dithia-16,18-diazapentacyclo[17.12.1.125,28.07,11.020,30]tritriaconta-1(32),4,19,30-tetraen-22-yne-2,1'-cyclopentane]-3-yl]pentanal

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-Ethyl-5-[26-(2-hydroxy-2-methoxyethyl)-7-[(4-hydroxy-3-methoxyphenyl)methyl]-28-(methylaminomethyl)-17-methylimino-6-oxospiro[21,29-dioxa-13,14-dithia-16,18-diazapentacyclo[17.12.1.125,28.07,11.020,30]tritriaconta-1(32),4,19,30-tetraen-22-yne-2,1'-cyclopentane]-3-yl]pentanal
• 英文别名: 3-ethyl-5-[26-(2-hydroxy-2-methoxyethyl)-7-[(4-hydroxy-3-methoxyphenyl)methyl]-28-(methylaminomethyl)-17-methylimino-6-oxospiro[21,29-dioxa-13,14-dithia-16,18-diazapentacyclo[17.12.1.125,28.07,11.020,30]tritriaconta-1(32),4,19,30-tetraen-22-yne-2,1'-cyclopentane]-3-yl]pentanal
• 化学式: C₅₂H₇₂N₄O₈S₂
• 分子量: 945.3
• InChiKey: WHVXIKJOUVILHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  66
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  211
• 氢给体数：
  5
• 氢受体数：
  12