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芦丁三水合物 | 250249-75-3

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中文名称:芦丁三水合物
英文名称:Rutin trihydrate
CAS No.:250249-75-3 分子式:C27H30O16.3[H2O] 分子量:664.56334
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:芦丁三水合物结构式
MSDS:芦丁三水合物msds 价格行情:芦丁三水合物价格 PubChem CID:24888176
国内供应商
芦丁三水合物的其他展现形式
  • 母体
  • 相关化合物
芦丁 (+)-Rutin trihydrate CAS No.:153-18-4
芦丁 Rutin CAS No.:153-18-4
曲克芦丁 Troxerutin CAS No.:7085-55-4
芦丁糖,芸香糖 Rutinose CAS No.:90-74-4
金丝桃苷 Hyperin CAS No.:482-36-0
扁蓄苷 Avicularin CAS No.:572-30-5
阿拉伯胶 Gum acacia CAS No.:9000-01-5
简介
Rutin (Rutoside) trihydrate 是一种多功能的天然黄酮苷,具有良好的抗氧化、抗炎、抗糖尿病和抗癌特性。Rutin trihydrate 具有心脏保护和神经保护活性。
名称和标识符
MDL MFCD00149490
InChIKey NLLBWFFSGHKUSY-JPRRWYCFSA-N
Inchi InChI=1S/C27H30O16.3H2O/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;;;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;3*1H2/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-;;;/m0.../s1
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@H](OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C4=CC(=C(C=C4)O)O)OC5=CC(=CC(=C5C3=O)O)O)O)O)O)O1)O)O)O.O.O.O
BRN 75455
别名信息
- 中文别名 -
芦丁三水合物 (+)-芦丁 三水合物 (+)-三水合芸香苷 (+)-芸香苷,三水合物 芦丁 芦丁 EP标准品 三水合芸香苷 维生素P(芦丁水合物) 标准品 (+)-芸香苷,三水 芦丁三水合物,维生素P 三水 芸香叶苷(芦丁),三水 芦丁 三水合物
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- 英文别名 -
(+)-Rutin trihydrate Quercetin-3-rutinoside~Vitamin P Rutin trihydrate Quercetin-3-rutinoside trihydrate,Vitamin P trihydrate Rutoside trihydrate RUTOSIDE TRIHYDRATE USP 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one trihydrate
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物化性质
 实验特性
LogP 6.34500
PSA 27.69000
Merck 14,3802
水溶性 Soluble in DMSO, acetone, dichloromethane or ethyl acetate. Insoluble in water.
熔点 195°C
颜色与性状 黄色的粉末
溶解性 稍微可溶解于水的
敏感性 Light Sensitive
密度 1.8200
 计算特性
精确分子量 324.26600
氢键供体数量 13
氢键受体数量 19
可旋转化学键数量 6
重原子数量 46
复杂度 1020
同位素原子数量 0
确定原子立构中心数量 10
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 4
疏水参数计算参考值(XlogP)
互变异构体数量 162
表面电荷 0
国际标准相关数据
EINECS 205-814-1
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8. Rutin phospholipid complexes confer neuro-protection in ischemic-stroke rats
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专业数据库参考
PubChemId 24888176
参考资料
Beilstein 75455
化合物详情(旧版)

SMILES

O.O.O.OC1=C(O)C=C(C=C1)C2=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)O3)C(=O)C5C(=CC(O)=CC=5O)O2


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