InChIKey | LRRDDWMXYOSKIC-VXXYGXROSA-N |
Inchi | 1S/C44H70O16/c1-19-8-13-44(53-18-19)20(2)30-27(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)55-41-38(59-39-35(51)33(49)31(47)21(3)54-39)36(52)37(29(17-46)57-41)58-40-34(50)32(48)28(16-45)56-40/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24?,25?,26?,27?,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42?,43?,44-/m1/s1 |
SMILES | O1[C@]2(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])O2)[C@@]([H])(C([H])([H])[H])[C@@]2([H])C1([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])=C4C([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])O[C@@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[C@@]1([H])[C@@]([H])([C@]([H])([C@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[C@@]1([H])[C@@]([H])([C@@]([H])([C@]([H])([C@]([H])(C([H])([H])[H])O1)O[H])O[H])O[H] |
LogP | 0.85320 |
PSA | 235.68000 |
颜色与性状 | Powder |
密度 | 1.40 |
精确分子量 | 854.46600 |
氢键供体数量 | 8 |
氢键受体数量 | 16 |
可旋转化学键数量 | 8 |
同位素质量 | 854.46638614 g/mol |
重原子数量 | 60 |
复杂度 | 1570 |
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) | 1.5 |
拓扑分子极性表面积 | 236 |
分子量 | 855.0 |
MDL | MFCD12407435 |
1.
Efficient enzyme-catalyzed production of diosgenin: inspired by the biotransformation mechanisms of steroid saponins in Talaromyces stollii CLY-6
Leiyu Cheng,Han Zhang,Haiyang Cui,Mehdi D. Davari,Bin Wei,Wenya Wang,Qipeng Yuan Green Chem. 2021 23 5896
2.
Effects of Rhizoma Parisdis total saponins and its main compounds on gastric emptying via regulating muscarinic receptors in vitro and in vivo
Yu Wang,Yuanxue Liu,Genbei Wang,Liying Han,Ting Xia,Zhen Liu,Shuli Man,Wenyuan Gao,Changxiao Liu RSC Adv. 2017 7 41163
SMILES
OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O1)OC2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(O[C@@H]2CO)OC4CC5[C@@](CC4)(C)[C@@H]6[C@@H](CC=5)[C@H]7[C@@](CC6)(C)[C@@H]8[C@@H](O[C@@]9(OC[C@H](C)CC9)[C@H]8C)C7
物理化学性质
密度 1.40
产品用途
应用领域
上下游产品信息
化学品安全说明书(MSDS)
储运特性