6''-O-乙酰黄豆黄苷

6''-O-Acetylglycitin

HCID 10228095CAS 134859-96-4

基本信息

标准SMILES: COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: DUBPGEJGGVZKDD-PFKOEMKTSA-N
分子式: C24H24O11
平均分子量: 488.4 g/mol
单同位素质量: 488.13186159

概述

Glycitein 7-(6-O-acetyl-beta-D-glucoside) is a glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety. It has a role as a plant metabolite. It is a beta-D-glucoside, a hydroxyisoflavone, a methoxyisoflavone, an acetate ester, an O-acyl carbohydrate, a monosaccharide derivative and a glycosyloxyisoflavone. It is functionally related to a glycitin.

名称与标识

首选名称: 6''-O-Acetylglycitin
IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
中文名: 6''-O-乙酰黄豆黄苷
英文名: 6''-O-ACETYLGLYCITIN
分子式: C24H24O11
分子量: 488.44

名称与别名

6''-O-ACETYLGLYCITIN134859-96-4AcetylglycitinGlycitin 6''-O-Acetate1PDF3A7UIEGlycitein 7-(6-O-acetyl-beta-D-glucopyranoside)3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-acetyl-beta-D-glucopyranoside[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methyl acetate((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl)oxy)oxan-2-yl)methyl acetate((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl)oxyoxan-2-yl)methyl acetateRefChem:1073522

展开更多名称

6-O-乙酰甘氨酸6''-O-乙酰黄豆黄苷6''-O-乙酰基黄豆黄苷6''-O-乙酰基大豆异黄酮6''-O-乙酰基大豆异黄酮6''-O-ACETYLGLYCITIN USP/EP/BPGlycitein 7-(6-O-acetylglucoside)Glycitin 6′′-O-Acetate, CAS 134859-96-44'-Hydroxy-6-methoxy-7-[(6-O-acetyl-β-D-glucopyranosyl)oxy]isoflavone3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-β-D-glucopyranoside7-(6-O-Acetyl-β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one

Acetyl glycitin (constituent of soy isoflavones)6-O-AcetylglycitinGlycitein 6''-O-AcetylglucosideUNII-1PDF3A7UIEAcetyl glycitin (constituent of soy isoflavones) [DSC]CHEBI:1333483-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranosideQ27252719

数据库标识

CAS: 134859-96-4
PubChem CID: 10228095
DTXSID: DTXSID70928782
ChEBI: CHEBI:133348
UNII: 1PDF3A7UIE
Nikkaji: J394.241D

性质

结构计算性质

XLogP: 0.7
极性表面积: 161 Å²
氢键供体: 4
氢键受体: 11
可旋转键: 7
重原子: 35
形式电荷: 0
复杂度: 792

实验与物化性质

Melting Point155 - 157 °C

Physical DescriptionSolid

物理化学性质

沸点: 741.6 · 741.6±60.0 °C(Predicted)
密度: 1.49 · 1.490±0.06 g/cm3(Predicted)
形态: Solid
酸度系数(pKa): 9.62 · 9.62±0.30(Predicted)
颜色: White to off-white
LogP: 0.953 · 0.953 (est)

安全与法规

危害信息

Regulatory Information · 1 条

4H-1-Benzopyran-4-one, 7-(6-O-acetyl-.beta.-D-glucopyranosyl)oxy-3-(4-hydroxyphenyl)-6-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

化学与工业

药理信息

Cellular LocationsCytoplasm

试剂价格

HY-N4072 · 1mg: 6''-O-乙酰黄豆黄苷6''-O-Acetylglycitin — 1710元
HY-N4072 · 5mg: 6''-O-乙酰黄豆黄苷6''-O-Acetylglycitin — 5140元

供应商50 家

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

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