b-D-吡喃葡萄糖苷,1-[7-(b-D-吡喃葡萄糖苷氧基)-2,3,4,4a,4b,5,6,7,8,8a,9,10-十二氢-2,4b,8,8-四甲基-2-菲基]-2-羟乙基(9CI) | 125776-03-6
b-D-吡喃葡萄糖苷,1-[7-(b-D-吡喃葡萄糖苷氧基)-2,3,4,4a,4b,5,6,7,8,8a,9,10-十二氢-2,4b,8,8-四甲基-2-菲基]-2-羟乙基(9CI)
b-D-Glucopyranoside, 1-[7-(b-D-glucopyranosyloxy)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl(9CI)
125776-03-6
C32H54O13
646.76336
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:b-D-吡喃葡萄糖苷,1-[7-(b-D-吡喃葡萄糖苷氧基)-2,3,4,4a,4b,5,6,7,8,8a,9,10-十二氢-2,4b,8,8-四甲基-2-菲基]-2-羟乙基(9CI)结构式
名称和标识符
InChIKey |
NPDAQZUAWDTCIZ-UHFFFAOYSA-N |
Inchi |
InChI=1S/C32H54O13/c1-30(2)19-6-5-15-11-31(3,21(14-35)45-29-27(41)25(39)23(37)18(13-34)43-29)9-7-16(15)32(19,4)10-8-20(30)44-28-26(40)24(38)22(36)17(12-33)42-28/h11,16-29,33-41H,5-10,12-14H2,1-4H3 |
SMILES |
OCC1OC(OC(C2(CCC3C4(CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3=C2)C)C)CO)C(O)C(O)C1O |
别名信息
- 英文别名 -
- b-D-Glucopyranoside, 1-[7-(b-D-glucopyranosyloxy)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl]-2-hydroxyethyl(9CI)
- neodarutoside
- 15-(beta-D-glucopyranosyloxy)-16-hydroxypimar-8(14)-en-3-yl beta-D-glucopyranoside
- 3,15,16-Trihydroxypimarane 3,15-bis(glucopyranoside)
- beta-D-Glucopyranoside, 1-(7-(beta-D-glucopyranosyloxy)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-2,4b,8,8-tetramethyl-2-phenanthrenyl)-2-hydroxyethyl
- (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[7-[2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl]oxy]oxane-3,4,5-triol
- Neodarutoside
- 125776-03-6
- 3-(Hexopyranosyloxy)-16-hydroxypimar-8(14)-en-15-yl hexopyranoside
- DTXSID60925265
物化性质
实验特性
PSA |
218.99 |
折射率 |
1.614 |
沸点 |
832.8°C at 760 mmHg |
闪点 |
457.4°C |
密度 |
1.4 |
计算特性
精确分子量 |
646.35652 |
氢键供体数量 |
9 |
氢键受体数量 |
13 |
可旋转化学键数量 |
8 |
同位素质量 |
646.356 |
重原子数量 |
45 |
复杂度 |
1060 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
10 |
不确定原子立构中心数量 |
6 |
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 |
拓扑分子极性表面积 |
219Ų |