30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (
- 中文别名：N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺
- 中文释义：N-(2-苯甲酰-4-溴苯基)-2-氯乙酰胺
- 英文别名：30-Noroleana-12,20(29)-dien-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-, O-6-deoxy-a-L-mannopyranosyl-(1®4)-O-b-D-glucopyranosyl-(1®6)-b-D-glucopyranosyl ester, (3b)- (9CI);
6-(((3,4-dihydroxy-6-(hydroxymethyl)-5-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl 10-((3-((3,5-dihydroxy-6-methyl-4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6a,6b,9,9,12a-pentamethyl-2-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
- CAS No.：128553-98-0
- 分子式：C64H102O30
- 分子量：0
- 精确分子量：1350.65000
- PSA：471.74000
- 分子结构式：
物化性质
- 密度：
- 1.52g/cm3
- 折射率：
- 1.647
安全信息
- 密度：
- 1.52g/cm3
- 折射率：
- 1.647
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）:-3.6
2.氢键供体数量:17
3.氢键受体数量:30
4.可旋转化学键数量:16
5.互变异构体数量:无
6.拓扑分子极性表面积:472
7.重原子数量:94
8.表面电荷:0
9.复杂度:2670
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:37
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
