化工网/ CAS号查询/ 江藤苷 | 133393-81-4

江藤苷 | 133393-81-4

江藤苷结构式图片|133393-81-4结构式图片
中文名称:江藤苷
英文名称:Brandioside
CAS No.:133393-81-4 分子式:C37H48O20 分子量:812.765020000001
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:江藤苷结构式
价格行情:江藤苷价格
国内供应商
江藤苷的其他展现形式
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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] CAS No.:128988-15-8
b-D-Glucopyranoside,2-(3,4-dimethoxyphenyl)ethyl 3-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-,2,6-diacetate 4-[3-[3,4-bis(acetyloxy)phenyl]-2-propenoate], (E)- (9CI) CAS No.:144765-80-0
名称和标识符
Inchi InChI=1S/C37H48O20/c1-15-26(44)28(46)30(48)35(52-15)51-14-24-32(56-25(43)9-6-18-4-7-20(39)22(41)12-18)33(57-36-31(49)29(47)27(45)16(2)53-36)34(54-17(3)38)37(55-24)50-11-10-19-5-8-21(40)23(42)13-19/h4-9,12-13,15-16,24,26-37,39-42,44-49H,10-11,14H2,1-3H3/b9-6+
InChIKey RIHCCESRYIALPG-RMKNXTFCSA-N
SMILES OC1C=CC(CCOC2OC(COC3OC(C)C(O)C(O)C3O)C(OC(/C=C/C3C=CC(O)=C(O)C=3)=O)C(OC3OC(C)C(O)C(O)C3O)C2OC(=O)C)=CC=1O
别名信息
- 中文别名 -
2'-乙酰基金石蚕苷 2’-乙酰基金石蚕苷 2-乙酰基金石蚕苷 江藤苷 來江藤甙 江藤甙 brandioside 2'-O-乙酰金石蚕苷
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- 英文别名 -
Brandioside​ [5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]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&reg (beta-(3',4'-Dihydroxyphenyl)ethyl)-(2-O-acetyl)-(3,6-O-di-alpha-L-rhamnopyransoyl)-(4-O-caffeoyl)-beta-D-glucopyranoside 2-(3,4-dihydroxyphenyl)ethyl 6-deoxyhexopyranosyl-(1->3)-[6-deoxyhexopyranosyl-(1->6)]- 2'-O-Acetylpoliumoside 6)]-, 2-acetate4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-, 2-acetate 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)- Brandioside 2'-Acetylpoliumoside 2-(3,4-Dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1→3)-O-[6-deoxy-alpha-L-mannopyranosyl-(1→6)]-beta-D-glucopyranoside 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] 2-(3,4-Dihydroxyphenyl)ethyl O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-[6-deoxy-alpha-L-mannopyranosyl-(1-6)]-beta-D-glucopyranoside 2-acetate 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
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物化性质
 计算特性
精确分子量 812.27389392 g/mol
同位素质量 812.27389392 g/mol
同位素原子数量 0
氢键供体数量 10
氢键受体数量 20
重原子数量 57
可旋转化学键数量 15
复杂度 1320
共价键单元数量 1
确定原子立构中心数量 15
不确定原子立构中心数量 0
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
疏水参数计算参考值(XlogP) -1
拓扑分子极性表面积 310Ų
分子量 812.8
 实验特性
颜色与性状 Powder
密度 1.58±0.1 g/cm3 (20 ºC 760 Torr),
溶解度 Very 微溶 (0.89 g/L) (25 ºC),
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