73803-52-8 (3-O-β-D-吡喃葡萄糖基-(1->6)-β-D-吡喃葡萄糖基-山奈酚,3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-kaempferol)

CAS号:
73803-52-8
中文名称:
3-O-β-D-吡喃葡萄糖基-(1->6)-β-D-吡喃葡萄糖基-山奈酚
英文名称:
3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-kaempferol
分子式:
C27H30O16
分子量:
610.517509937286

3-O-β-D-吡喃葡萄糖基-(1->6)-β-D-吡喃葡萄糖基-山奈酚(73803-52-8)名称与标识符

名称

英文别名:
3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-kaempferol;kaempferol 3-gentiobioside;kaempferol 3-O-(6-beta-D-glucopyranosy;kaempferol 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside;kaempferol 3-O-beta-Glc-(1->6)-beta-Glc;kaempferol 3-O-gentiobioside;Kaempferol-3-diglucosid;kaempferol-3-O-gentiobioside;Kaempferol 3-glucosyl-(1->6)-galactoside;kaempferol beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucosyl-(1->6)-beta-D-glucoside;kaempferol beta-D-glucosyl-(1->6)-beta-D-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside;3,4',5,7-Tetrahydroxyflavone 3-gentiobioside;kaempferol-3-gentiobioside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 6-O-beta-D-glucosyl-beta-D-glucoside;kaempferol 3-O-beta-gentiobioside;

标识符

InChIKey:
BITPRCODIALMOV-UHFFFAOYSA-N
Inchi:
1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2
SMILES:
OCC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3C(=O)C4C(=CC(=CC=4O)O)OC=3C3C=CC(O)=CC=3)O2)O1

3-O-β-D-吡喃葡萄糖基-(1->6)-β-D-吡喃葡萄糖基-山奈酚(73803-52-8)物化性质

计算特性

  • 氢键供体数量 : 10
  • 氢键受体数量 : 16
  • 重原子数量 : 43
  • 疏水参数计算参考值(XlogP) : -1.786