3-Methyloxane-2,6-dione;prop-2-enyl 13-amino-46,49,58,62,71-pentaoxo-12,22,36-trioxa-5,20,29,38,45,50,57,63,70-nonazaundecacyclo[31.15.10.109,25.13,47.17,11.123,27.131,35.014,19.039,44.051,56.064,69]doheptaconta-1,3(59),7,9,11(72),20,23(61),24,26,31,33,35(60),47-tridecaene-29-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 3-Methyloxane-2,6-dione;prop-2-enyl 13-amino-46,49,58,62,71-pentaoxo-12,22,36-trioxa-5,20,29,38,45,50,57,63,70-nonazaundecacyclo[31.15.10.109,25.13,47.17,11.123,27.131,35.014,19.039,44.051,56.064,69]doheptaconta-1,3(59),7,9,11(72),20,23(61),24,26,31,33,35(60),47-tridecaene-29-carboxylate
• 英文别名: 3-methyloxane-2,6-dione;prop-2-enyl 13-amino-46,49,58,62,71-pentaoxo-12,22,36-trioxa-5,20,29,38,45,50,57,63,70-nonazaundecacyclo[31.15.10.109,25.13,47.17,11.123,27.131,35.014,19.039,44.051,56.064,69]doheptaconta-1,3(59),7,9,11(72),20,23(61),24,26,31,33,35(60),47-tridecaene-29-carboxylate
• 化学式: C70H86N10O13
• 分子量: 1275.5
• InChiKey: TXWNROZCUMLXQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.67
• 重原子数：
  93
• 可旋转键数：
  3
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  309
• 氢给体数：
  8
• 氢受体数：
  17