D-Alanine, N-((4-amino-5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-10-((trimethylammonio)methyl)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)- | 153619-18-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: D-Alanine, N-((4-amino-5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-10-((trimethylammonio)methyl)benzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
• 英文别名: [(5S,6S)-4-amino-2-[[(1R)-1-carboxyethyl]carbamoyl]-5-[(2S,3R,4S,5S,6R)-5-(dimethylamino)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracen-10-yl]methyl-trimethylazanium
• CAS: 153619-18-2
• 化学式: C45H57N4O18+
• 分子量: 941.9
• InChiKey: KOYHAARAHGXYNN-IHEAHZCQSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  67
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  338
• 氢给体数：
  11
• 氢受体数：
  20