Ethyl 3-[2,7,8',10,33,39-hexahydroxy-9'-(2-hydroxyethyl)-8-(hydroxymethyl)-29-methyl-14'-(methylaminomethyl)spiro[12,19,22,38-tetraoxa-35,36-dithia-25-azaheptacyclo[24.7.4.11,11.12,10.04,9.013,21.016,20]nonatriaconta-5,13,15,17,20-pentaene-37,4'-tricyclo[11.2.1.01,5]hexadec-10-yne]-14-yl]propanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: Ethyl 3-[2,7,8',10,33,39-hexahydroxy-9'-(2-hydroxyethyl)-8-(hydroxymethyl)-29-methyl-14'-(methylaminomethyl)spiro[12,19,22,38-tetraoxa-35,36-dithia-25-azaheptacyclo[24.7.4.11,11.12,10.04,9.013,21.016,20]nonatriaconta-5,13,15,17,20-pentaene-37,4'-tricyclo[11.2.1.01,5]hexadec-10-yne]-14-yl]propanoate
• 英文别名: ethyl 3-[2,7,8',10,33,39-hexahydroxy-9'-(2-hydroxyethyl)-8-(hydroxymethyl)-29-methyl-14'-(methylaminomethyl)spiro[12,19,22,38-tetraoxa-35,36-dithia-25-azaheptacyclo[24.7.4.11,11.12,10.04,9.013,21.016,20]nonatriaconta-5,13,15,17,20-pentaene-37,4'-tricyclo[11.2.1.01,5]hexadec-10-yne]-14-yl]propanoate
• 化学式: C₅₈H₈₄N₂O₁₄S₂
• 分子量: 1097.4
• InChiKey: OCHOFPHKLNJABP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  76
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  18