2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

• ChemBase编号: 155916
• 分子式: C21H20O12
• 平均质量: 464.3763
• 单一同位素质量: 464.09547608
• SMILES: c1cc(c(cc1c1c(c(=O)c2c(cc(cc2o1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
• Canonical SMILES: OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O
• InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
• InChIKey: OVSQVDMCBVZWGM-DTGCRPNFSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
• IUPAC传统名: hyperoside
• 别名: 海棠因; 金丝桃苷; 槲皮素 3-D-半乳糖苷; 槲皮素 3-D-半乳糖苷; 金丝桃甙; 3,3′,4′,5,7-Pentahydroxyflavone 3-D-galactoside; Hyperin; Hyperoside; Quercetin 3-D-galactoside; Quercetin 3-D-galactoside; Hyperoside; Quercetin 3-O-galactoside; Hyperin

登记号

• CAS号: 482-36-0
• EC号: 207-580-6
• MDL号: MFCD00016933
• Beilstein号: 5784795
• PubChem SID: 162250054; 24888115
• PubChem CID: 5281643

理论计算性质

• Acid pKa: 6.3724055
• 质子受体: 12
• 质子供体: 8
• LogD (pH = 5.5): -0.19928613
• LogD (pH = 7.4): -1.3000474
• Log P: -0.1448353
• 摩尔折射率: 109.2755 cm^3
• 极化性: 42.19499 Å^3
• 极化表面积: 206.6 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Yellow powder

安全信息

• RTECS编号: DJ3009200
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

药理学性质

• 相关基因信息: mouse ... Hexa(15211)

产品相关信息

• 纯度: ≥97.0% (HPLC)
• 级别: primary reference standard
• Empirical Formula (Hill Notation): C21H20O12

详细说明

Sigma Aldrich - 83388

Other Notes
A flavonol glycoside widely distribute in plants, including mimosa and St. John′s wort.
Biochem/physiol Actions
Protects against peroxide-induced oxidative damage to cells by scavenging reactive oxygen species and enhancing activity of anti-oxidant enzymes, in particular, catalase and glutathione peroxidase.

Sigma Aldrich - 00180585

Application
草药产品分析的标准品。
General description
由 HWI Analytik 生产和检验 证书上注明了由定量 NMR 确定的准确含量
Other Notes
A flavonol glycoside widely distribute in plants, including mimosa and St. John′s wort.
Biochem/physiol Actions
Protects against peroxide-induced oxidative damage to cells by scavenging reactive oxygen species and enhancing activity of anti-oxidant enzymes, in particular, catalase and glutathione peroxidase.