b-D-吡喃葡萄糖苷,2-(3,4-二羟基苯基)乙基O-6-脱氧-a-L-吡喃甘露糖基-(1,4-二羟基苯基)-O-6-脱氧-a-L-吡喃甘露糖基-(1,3)-,4-[(2E)-3-(3,4-二羟基苯基)-2-丙烯酸] | 128988-15-8
b-D-吡喃葡萄糖苷,2-(3,4-二羟基苯基)乙基O-6-脱氧-a-L-吡喃甘露糖基-(1,4-二羟基苯基)-O-6-脱氧-a-L-吡喃甘露糖基-(1,3)-,4-[(2E)-3-(3,4-二羟基苯基)-2-丙烯酸]
b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(1®2)-O-6-deoxy-a-L-mannopyranosyl-(1®3)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
128988-15-8
C35H46O19
770.72834
名称和标识符
InChIKey |
BHIVONXIYZYGEJ-VMPITWQZSA-N |
Inchi |
InChI=1S/C35H46O19/c1-14-24(42)26(44)28(46)34(49-14)54-32-27(45)25(43)15(2)50-35(32)53-31-29(47)33(48-10-9-17-4-7-19(38)21(40)12-17)51-22(13-36)30(31)52-23(41)8-5-16-3-6-18(37)20(39)11-16/h3-8,11-12,14-15,22,24-40,42-47H,9-10,13H2,1-2H3/b8-5+ |
SMILES |
OC1C=CC(CCOC2OC(CO)C(OC(/C=C/C3C=CC(O)=C(O)C=3)=O)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)=CC=1O |
别名信息
- 英文别名 -
- [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-a-L-mannopyranosyl-(1®
- phlinoside C
- 2)-O-6-deoxy-a-L-mannopyranosyl-(1®
- 3)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
- 3,4-Dihydroxy beta-phenylethoxy-O-alpha-rhamnopyranosyl-(1-2)-alpha-rhamnopyranosyl-(1-3)-4-O-caffeoyl-beta-glucopyranoside
- beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-
- [2-(3,4-Dihydroxyphenyl)ethyl]3-O-[2-O-(α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-4-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-β-D-glucopyranoside
- Phlinoside C
- 128988-15-8
物化性质
实验特性
计算特性
精确分子量 |
770.26328 |
氢键供体数量 |
11 |
氢键受体数量 |
19 |
可旋转化学键数量 |
13 |
同位素质量 |
770.26332923g/mol |
重原子数量 |
54 |
复杂度 |
1210 |
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 |
15 |
确定化学键立构中心数量 |
1 |
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) |
-1.6 |
拓扑分子极性表面积 |
304Ų |
b-D-吡喃葡萄糖苷,2-(3,4-二羟基苯基)乙基O-6-脱氧-a-L-吡喃甘露糖基-(1,4-二羟基苯基)-O-6-脱氧-a-L-吡喃甘露糖基-(1,3)-,4-[(2E)-3-(3,4-二羟基苯基)-2-丙烯酸]推荐生产厂家