2-(3,4-Dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside（CAS号：104777-68-6）

大车前苷

基本信息

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CAS号

104777-68-6

分子式

C29H36O16

分子量

640.59 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Powder

沸点

953℃/760mmHg

溶解度

Methanol,Water,Acetontrile,DMSO

SMILES

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C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1

InChIKey

KFEFLPDKISUVNR-QJEHNBJNSA-N

LogP

-2.0435

拓扑极性表面积

265.52 Å²

氢键供体/受体

10 / 16

复杂度

953

安全信息

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储存条件

-20℃

同义词与引用数据

英文

(2R,3R,4R,5R,6R)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
MFCD20527298
DTXSID301317348
C29H36O16
AS-82298
Plantamajoside
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
AKOS030632861
CCG-270318
CS-0007099
AC1NQZ35
(E)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-
CHEBI:8256
Purpureasid-A
s9077
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(E)-(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl3-(3,4-dihydroxyphenyl)acrylate
Q27108018
Q-100957
Y0160
C10485
HY-N0031
Purpureaside A
(E)-(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-5-hydroxy-2-(hydroxymethyl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl 3-(3,4-dihydroxyphenyl)acrylate
Plantamoside
104777-68-6
plantamajoside
2-(3,4-Dihydroxyphenyl)ethyl 4-O-(3,4-dihydroxycinnamoyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranoside
b-D-Glucopyranoside,2-(3,4-dihydroxyphenyl)ethyl 3-O-b-D-glucopyranosyl-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
purpureaside A
2-(3,4-Dihydroxyphenyl)ethyl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]