20905-74-2 (3,5-二(β-D-吡喃葡萄糖基)飞燕草素氯化物,3,5-di(beta-D-glucopyranosyl)delphidin chloride)

3,5-二(β-D-吡喃葡萄糖基)飞燕草素氯化物(20905-74-2)名称与标识符

名称

英文别名:
3,5-di(beta-D-glucopyranosyl)delphidin chloride;3,5-di-O-beta-D-glucopyranoside of cyanidin;Cianidin-3,5-diglucoside;cyanidin 3,5-beta-D-glucoside;cyanidin 3,5-beta-diglucoside;cyanidin 3,5-di-beta-D-glucoside chloride;cyanidin 3,5-di-O-beta-glucopyranoside;cyanidin 3,5-di-O-glucoside;cyanidin 3,5-diglucoside;cyanidin 3,5-diglucoside chloride chloride;cyanidin 3,5-O-beta-D-diglucoside;cyanidin 3-beta-D-glucopyranoside-5-beta-D-glucopyranoside trifluoroacetate;Cyanidin-(3,5)-diglukosid;cyanidin-3,5-di-O-glucoside;cyanidin-3,5-diglucopyranoside;Cyanidin-3,5-diglucosid;Cyanidin-3,5-diglucosid-Ion;Cyanidin-3,5-diglucoside;cyanidin-3,5-O-beta-diglucopyranoside;cyanidin-3-O-beta-D-glucopyranosyl-5-O-beta-D-glucoside;cyanin;(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;BDBM50005093;1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-;Q21099632;Cyanidin 3,5-O-diglucoside;SCHEMBL6138846;FLAVYLIUM, 3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-3',4',7-TRIHYDROXY-;CYANIDIN 3,5-.BETA.-D-O-DIGLUCOSIDE;1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-;2-(3,4-DIHYDROXYPHENYL)-3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-1-BENZOPYRYLIUM;Flavylium, 3,5-bis(beta-D-glucopyranosyloxy)-3',4',7-trihydroxy-;3,5-bis(beta-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium;2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl beta-D-glucopyranoside;2U0001Z916;UNII-2U0001Z916;CHEBI:3978;CHEMBL2425137;20905-74-2;Cyanidin 3,5-diglucoside ion;Cyanidin-3,5-O-diglucoside;Cyanidin 3,5-diglucoside cation;Cyanidin 3-O-glucoside-5-O-glucoside;2-(3,4-Dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium;Cyanidin 3,5-beta-D-o-diglucoside;DTXSID70331611;C08639;

标识符

InChIKey:
RDFLLVCQYHQOBU-DSJMKLIFSA-O
Inchi:
1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22?,23-,24-,26-,27-/m1/s1
SMILES:
O1[C@H]([C@@H](C([C@@H]([C@H]1CO)O)O)O)OC1C(C2C=CC(=C(C=2)O)O)=[O+]C2C=C(C=C(C=2C=1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O

3,5-二(β-D-吡喃葡萄糖基)飞燕草素氯化物(20905-74-2)物化性质

计算特性

  • 精确分子量 : 611.16120990g/mol
  • 氢键供体数量 : 11
  • 氢键受体数量 : 15
  • 可旋转化学键数量 : 7
  • 同位素质量 : 611.16120990g/mol
  • 重原子数量 : 43
  • 复杂度 : 899
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : -1.621
  • 拓扑分子极性表面积 : 260Ų

3,5-二(β-D-吡喃葡萄糖基)飞燕草素氯化物(20905-74-2)相关文献