化工网/ CAS号查询/ 大豆皂苷II | 55319-36-3

大豆皂苷II | 55319-36-3

大豆皂苷II结构式图片|55319-36-3结构式图片
中文名称:大豆皂苷II
英文名称:Soyasaponin II
CAS No.:55319-36-3 分子式:C47H76O17 分子量:913.0962
植物源: 大豆  
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:大豆皂苷II结构式
价格行情:大豆皂苷II价格
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大豆皂苷II的其他展现形式
  • 相关化合物
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名称和标识符
Inchi 1S/C47H76O17/c1-21-29(51)31(53)34(56)39(60-21)63-36-30(52)24(49)19-59-40(36)64-37-33(55)32(54)35(38(57)58)62-41(37)61-28-12-13-44(5)25(45(28,6)20-48)11-14-47(8)26(44)10-9-22-23-17-42(2,3)18-27(50)43(23,4)15-16-46(22,47)7/h9,21,23-37,39-41,48-56H,10-20H2,1-8H3,(H,57,58)
InChIKey IBZLICPLPYSFNZ-UHFFFAOYSA-N
SMILES O(C1([H])C([H])(C([H])(C([H])(C([H])(C(=O)O[H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])([H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[H])O[H])C1([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3(C([H])([H])[H])C4(C([H])([H])[H])C([H])([H])C([H])([H])C5(C([H])([H])[H])C([H])(C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C5([H])C4=C([H])C([H])([H])C32[H])O[H])C1(C([H])([H])[H])C([H])([H])O[H]
别名信息
- 中文别名 -
大豆皂苷 II(AS) 大豆皂苷II
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- 英文别名 -
LogP soyasaponin II SOYASAPONIN II(AS) PrintBack SOYASAPONIN II(SH) 2)-O-a-L-arabinopyranosyl-(1&reg b-D-Glucopyranosiduronic acid, (3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1&reg
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物化性质
 计算特性
精确分子量 912.50800
同位素质量 912.50825095 g/mol
同位素原子数量 0
氢键供体数量 10
氢键受体数量 17
重原子数量 64
可旋转化学键数量 8
复杂度 1760
共价键单元数量 1
确定原子立构中心数量 0
不确定原子立构中心数量 24
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
疏水参数计算参考值(XlogP) 2.4
拓扑分子极性表面积 275
分子量 913.1
 实验特性
颜色与性状 Powder
PSA 274.75000
LogP 1.34370
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