b-D-吡喃葡萄糖苷,(1aR,2S,3aR,5R,5aR,5bS)-四氢-5-羟基-5b-[[(4-羟基-3-甲氧基苯甲酰基)氧基]甲基]-2-甲基-2,5-亚甲基-1H-3,4-二氧酰基环丁烷[cd]戊烯-1a(2H)-基 | 172705-25-8
b-D-吡喃葡萄糖苷,(1aR,2S,3aR,5R,5aR,5bS)-四氢-5-羟基-5b-[[(4-羟基-3-甲氧基苯甲酰基)氧基]甲基]-2-甲基-2,5-亚甲基-1H-3,4-二氧酰基环丁烷[cd]戊烯-1a(2H)-基
b-D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl
172705-25-8
C24H30O13
526.4872
名称和标识符
InChIKey |
VMBNWSNNKXQGBU-WQGKFXPUSA-N |
Inchi |
InChI=1S/C24H30O13/c1-21-8-23(31)14-6-24(21,35-19-17(29)16(28)15(27)13(7-25)34-19)22(14,20(36-21)37-23)9-33-18(30)10-3-4-11(26)12(5-10)32-2/h3-5,13-17,19-20,25-29,31H,6-9H2,1-2H3/t13-,14-,15-,16+,17-,19+,20+,21?,22+,23?,24+/m1/s1 |
SMILES |
COC1=C(O)C=CC(C(OC[C@@]23[C@H]4C[C@@]2(C2(CC4(O)O[C@@H]3O2)C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=O)=C1 |
别名信息
- 英文别名 -
- b-D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl
- b-D-Glucopyranoside,(1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-methyl-2,5-me
- b-D-Glucopyranoside,tetrahydro-5-hydroxy-5b-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl,[1aR-(1aa,2b,3aa,5a,5aa,5ba)]-
- Mudanpioside E
- .BETA.-D-GLUCOPYRANOSIDE, (1AR,2S,3AR,5R,5AR,5BS)-TETRAHYDRO-5-HYDROXY-5B-(((4-HYDROXY-3-METHOXYBENZOYL)OXY)METHYL)-2-METHYL-2,5-METHANO-1H-3,4-DIOXACYCLOBUTA(CD)PENTALEN-1A(2H)-YL
- 172705-25-8
- beta-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-tetrahydro-5-hydroxy-5b-(((4-hydroxy-3-methoxybenzoyl)oxy)methyl)-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta(cd)pentalen-1a(2H)-yl
- mudanpioside E
- Q27271462
- UNII-923VYO8W98
- 923VYO8W98
物化性质
计算特性
精确分子量 |
526.16864101g/mol |
氢键供体数量 |
6 |
氢键受体数量 |
13 |
可旋转化学键数量 |
8 |
同位素质量 |
526.16864101g/mol |
重原子数量 |
37 |
复杂度 |
934 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
9 |
不确定原子立构中心数量 |
2 |
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) |
-1.4 |
拓扑分子极性表面积 |
194Ų |