[20-Amino-15-[3-[2-(diaminomethylideneamino)ethoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy-14-[[7-formyl-9-hydroxy-11-(methylaminomethyl)-20-oxahexacyclo[11.9.1.01,18.02,15.03,8.09,14]tricosa-3(8),4,6-trien-6-yl]methyl]-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-5-pentacyclo[23.3.1.18,12.04,9.011,16]triaconta-1(28),2,4,6,8,11(16),12,14,25(29),26-decaen-18-ynyl] acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [20-Amino-15-[3-[2-(diaminomethylideneamino)ethoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy-14-[[7-formyl-9-hydroxy-11-(methylaminomethyl)-20-oxahexacyclo[11.9.1.01,18.02,15.03,8.09,14]tricosa-3(8),4,6-trien-6-yl]methyl]-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-5-pentacyclo[23.3.1.18,12.04,9.011,16]triaconta-1(28),2,4,6,8,11(16),12,14,25(29),26-decaen-18-ynyl] acetate
• 英文别名: [20-amino-15-[3-[2-(diaminomethylideneamino)ethoxy]-4,4,5-trihydroxy-6-methyloxan-2-yl]oxy-14-[[7-formyl-9-hydroxy-11-(methylaminomethyl)-20-oxahexacyclo[11.9.1.01,18.02,15.03,8.09,14]tricosa-3(8),4,6-trien-6-yl]methyl]-13,23-dihydroxy-7-(hydroxymethyl)-10,30-dioxo-5-pentacyclo[23.3.1.18,12.04,9.011,16]triaconta-1(28),2,4,6,8,11(16),12,14,25(29),26-decaen-18-ynyl] acetate
• 化学式: C₆₈H₇₉N₅O₁₆
• 分子量: 1222.4
• InChiKey: RMWGEIMQQPGPDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  89
• 可旋转键数：
  14
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  359
• 氢给体数：
  11
• 氢受体数：
  19