5,12-Naphthacenedione,7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-10-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-a-L-lyxo-hexopyranosyl]-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-
- 中文别名:2-(二丁基氨基)乙基甲丙烯酰酸酯
- 中文释义:2-(二丁基氨基)乙基甲丙烯酰酸酯
- 英文别名:(3S)-3,5,10,12-tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl(4xi)-2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-alpha-L-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-L-threo-hexopyrano;
5,12-Naphthacenedione,7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-10-[[2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-[(2R,6S)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl]-a-L-lyxo-hexopyranosyl]-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-,(8S,10S)-
- CAS No.:80470-08-2
- 分子式:C40H51NO15
- 分子量:0
- 分子结构式:
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):2.7
2.氢键供体数量:6
3.氢键受体数量:16
4.可旋转化学键数量:8
5.互变异构体数量:558
6.拓扑分子极性表面积:231
7.重原子数量:56
8.表面电荷:0
9.复杂度:1450
10.同位素原子数量:0
11.确定原子立构中心数量:10
12.不确定原子立构中心数量:3
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1