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知母皂苷C | 185432-00-2

知母皂苷C结构式图片|185432-00-2结构式图片
中文名称:知母皂苷C
英文名称:Anemarsaponin BIII
CAS No.:185432-00-2 分子式:C45H74O18 分子量:903.0583
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:知母皂苷C结构式
价格行情:知母皂苷C价格
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知母皂苷C的其他展现形式
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名称和标识符
InChIKey ROHLIYKWVMBBFX-UHFFFAOYSA-N
Inchi 1S/C45H74O18/c1-19(18-57-41-38(55)35(52)32(49)28(15-46)60-41)5-8-26-20(2)31-27(59-26)14-25-23-7-6-21-13-22(9-11-44(21,3)24(23)10-12-45(25,31)4)58-43-40(37(54)34(51)30(17-48)62-43)63-42-39(56)36(53)33(50)29(16-47)61-42/h19,21-25,27-43,46-56H,5-18H2,1-4H3
SMILES O1C(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])=C(C([H])([H])[H])C2([H])C1([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C4([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])C12C([H])([H])[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
别名信息
- 中文别名 -
知母皂苷C
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- 英文别名 -
Timorsaponin C Timsaponin C Anemarsaponin C Timosaponin C (3beta,5beta,25S)-26-(beta-D-Glucopyranosyloxy)furost-20(22)-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(h Anemarsaponin B Anemarsaponin BII Anemarsaponin BIII TimosaponinC Pseudoprototimosaponin A III
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物化性质
 计算特性
精确分子量 902.48751551 g/mol
氢键供体数量 11
氢键受体数量 18
可旋转化学键数量 13
同位素质量 902.48751551 g/mol
重原子数量 63
复杂度 1590
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 25
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) 0.9
拓扑分子极性表面积 287
分子量 903.1
 实验特性
溶解度 Insuluble (3.0E-3 g/L) (25 ºC),
颜色与性状 Powder
密度 1.43±0.1 g/cm3 (20 ºC 760 Torr),

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