32769-01-0 (苜蓿素-7-O-葡萄糖苷,Tricine 7-Glucoside)

苜蓿素-7-O-葡萄糖苷(32769-01-0)名称与标识符

名称

中文别名:
苜蓿素-7-O-葡萄糖苷;
英文别名:
3',5'-dimethoxytricetin-7-O-beta-D-glucopyranoside;4',5-dihydroxy-3',5'-dimethoxyflavone 7-O-beta-D-glucoside;5,4'-dihydroxy-3',5'-dimethoxy-7-O-beta-D-glucopyranosylflavone;7-O-beta-D-Glucopyranoside-4',5,7-Trihydroxy-3',5'-dimethoxyflavone;Glucotricin;Glucotricin (Tricin-7beta-glucosid);morifonoside A;tricin 7-glucoside;tricin 7-O-beta-D-glucopyranoside;tricin-7-O-beta-D-glucopyranoside;Tricin-7-O-glucosid;Tricin-7-O-β-D-glucopyranoside;3',5'-Dimethoxytricetin 7-O-β-D-glucopypranoside;Tricin 7-O-glucoside;7-Glu tricin;CHEBI:131776;5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;tricin 7-O-beta-D-glucoside;Tricine 7-Glucoside;7-O-glucosyltricin;AKOS040762746;5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside;tricin 7-beta-glucoside;CS-0201488;7-O-beta-D-glucopyranosyltricin;A-D-glucopyranoside;SCHEMBL2430330;7-O-beta-glucosyltricin;tricin 7-beta-D-glucopyranoside;DTXSID501305361;32769-01-0;7-O-beta-D-glucosyltricin;tricin 7-beta-D-glucoside;Q63409041;HY-N9587;Tricin-7-beta-D-glucopyranoside;Tricin 7-O-;7-glucosyltricin;2,4-DICHLORO-6-(O-CHLOROPHENOXY)-S-TRIAZINE;SCHEMBL22345059;SCHEMBL23764741;3',5'-Dimethoxytricetin 7-O-beta-D-glucopypranoside;Flavone base + 3O, 2MeO, O-Hex;Tricin 7-O-I(2)-D-glucopyranoside;DA-58720;

标识符

InChIKey:
JGXFMIJHKASCIZ-LDBVRRDLSA-N
Inchi:
InChI=1S/C23H24O12/c1-31-15-3-9(4-16(32-2)19(15)27)13-7-12(26)18-11(25)5-10(6-14(18)34-13)33-23-22(30)21(29)20(28)17(8-24)35-23/h3-7,17,20-25,27-30H,8H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1
SMILES:
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O

苜蓿素-7-O-葡萄糖苷(32769-01-0)物化性质

实验特性

  • 沸点 : 819.2±65.0 °C at 760 mmHg
  • 蒸气压 : 0.0±3.1 mmHg at 25°C
  • 闪点 : 283.1±27.8 °C
  • 颜色与性状 : Yellow powder
  • 密度 : 1.6±0.1 g/cm3

计算特性

  • 精确分子量 : 492.12677620g/mol
  • 氢键供体数量 : 6
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 6
  • 同位素质量 : 492.12677620g/mol
  • 重原子数量 : 35
  • 复杂度 : 762
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 5
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 0.8
  • 拓扑分子极性表面积 : 185Ų

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苜蓿素-7-O-葡萄糖苷(32769-01-0)参考资料

Reaxys RN:
PubChem CID: