大豆皂苷II | 55319-36-3

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
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

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名称和标识符

InChIKey	IBZLICPLPYSFNZ-UHFFFAOYSA-N
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)
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
氢键供体数量	10
氢键受体数量	17
可旋转化学键数量	8
同位素质量	912.50825095 g/mol
重原子数量	64
复杂度	1760
同位素原子数量	0
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
共价键单元数量	1
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

LogP	1.34370
PSA	274.75000
颜色与性状	Powder