Forsythoside B（CAS号：81525-13-5）

连翘酯苷B

基本信息

在编辑器中查看

CAS号

81525-13-5

分子式

C34H44O19

分子量

756.71 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

熔点

130-140°C

密度

1.65

溶解度

Methanol; Water; Acetontrile; DMSO

SMILES

在编辑器中查看

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O

InChI

InChI=1S/C34H44O19/c1-15-24(41)25(42)26(43)32(50-15)53-29-27(44)31(47-9-8-17-3-6-19(37)21(39)11-17)51-22(12-48-33-30(45)34(46,13-35)14-49-33)28(29)52-23(40)7-4-16-2-5-18(36)20(38)10-16/h2-7,10-11,15,22,24-33,35-39,41-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33+,34+/m0/s1

InChIKey

JMBINOWGIHWPJI-UNSOMVRXSA-N

LogP

-2.550999999999998

拓扑极性表面积

304.21 Å²

氢键供体/受体

11 / 19

复杂度

1190

安全信息

查看安全信息

危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

储存条件

2-8℃

同义词与引用数据

英文

Forsythoside B
Forsythoside
(E)-O-D-Apio-beta-D-furanosyl-(1-6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)ethyl 4-[3-(3,4-dihydroxyphenyl)-2-propenoate]
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
DTXSID101317304
2-(3,4-Dihydroxyphenyl)ethyl O-D-apio-beta-D-furanosyl-(1-6)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-3)]-beta-D-glucopyranoside 4-[3-(3,4-Dihydroxyphenyl)-2-propenoate], (E)-
((2R,3R,4R,5R,6R)-2-(((2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-6-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-4-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
s9184
AS-56592
DA-73527
((2R,3R,4R,5R,6R)-2-(((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl)oxymethyl)-6-(2-(3,4-dihydroxyphenyl)ethoxy)-5-hydroxy-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl) (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
MEGxp0_000314
CCG-270442
81525-13-5
NCGC00169000-01
CS-6503
Forsythoside-B
(2R,3R,4R,5R,6R)-2-((((2R,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)methyl)-6-(3,4-dihydroxyphenethoxy)-5-hydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
GTPL10303
HY-N0029
HMS3886D20
AKOS027250812
ACon1_000521
ForsythosideB
[(2R,3R,4R,5R,6R)-2-[[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate