8-甲酯基<甲氧羰基>辛基4-O-(3,4,6-三-O-乙酰基-2-脱氧-2-酞酰亚胺基-b-D-吡喃葡萄糖基)-2-脱氧-3-O-苯甲基-2-酞酰亚胺基-b-D-吡喃葡萄糖苷 基本信息 | |||
---|---|---|---|
CAS号 | 106315-28-0 | 分子式 | C25H40O4 |
分子量 | 404.58300 | 精确质量 | 404.29300 |
PSA | 69.92000 | LogP | 4.44750 |
106351-07-9
(1S,3R,9S,10R,13S,14S,17S)-17-((4-hydroxy-4-methylpentyl)oxy)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
→
106315-28-0
8-甲酯基<甲氧羰基>辛基4-O-(3,4,6-三-O-乙酰基-2-脱氧-2-酞酰亚胺基-b-D-吡喃葡萄糖基)-2-脱氧-3-O-苯甲基-2-酞酰亚胺基-b-D-吡喃葡萄糖苷
106351-06-8
(2R,4S,4aR,4bR,6aS,7S,9aR,9bS,14aS)-7-((4-hydroxy-4-methylpentyl)oxy)-4a,6a-dimethyl-11,13-dioxo-12-phenyl-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnoline-2,4-diyl diacetate
→
106315-28-0
8-甲酯基<甲氧羰基>辛基4-O-(3,4,6-三-O-乙酰基-2-脱氧-2-酞酰亚胺基-b-D-吡喃葡萄糖基)-2-脱氧-3-O-苯甲基-2-酞酰亚胺基-b-D-吡喃葡萄糖苷
106351-02-4
2,2'-(((1S,3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(3-(2-methyl-1,3-dioxolan-2-yl)propoxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-1,3-diyl)bis(oxy))bis(tetrahydro-2H-pyran)
→
106315-28-0
8-甲酯基<甲氧羰基>辛基4-O-(3,4,6-三-O-乙酰基-2-脱氧-2-酞酰亚胺基-b-D-吡喃葡萄糖基)-2-脱氧-3-O-苯甲基-2-酞酰亚胺基-b-D-吡喃葡萄糖苷
1.疏水参数计算参考值(XlogP):2.8
2.氢键供体数量:3
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积:69.9
7.重原子数量:29
8.表面电荷:0
9.复杂度:662
10.同位素原子数量:0
11.确定原子立构中心数量:4
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:2
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
53-43-0
去氢表雄酮
20998-18-9
1α,3β-dihydroxy-androst-5-en-17-one
106351-03-5
5-(((1S,3R,8S,9S,10R,13S,14S,17S)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy)pentan-2-one
106351-04-6
(1S,3R,8S,9S,10R,13S,14S,17S)-17-((4-hydroxy-4-methylpentyl)oxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
106351-02-4
2,2'-(((1S,3R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(3-(2-methyl-1,3-dioxolan-2-yl)propoxy)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-1,3-diyl)bis(oxy))bis(tetrahydro-2H-pyran)