142473-99-2 (3-[(2-O-beta-D-呋喃芹糖基-D-吡喃葡萄糖基)氧基]-2-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮,Complanatoside B)

CAS号:
142473-99-2
中文名称:
3-[(2-O-beta-D-呋喃芹糖基-D-吡喃葡萄糖基)氧基]-2-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮
英文名称:
Complanatoside B
分子式:
C33H40O20
分子量:
756.658712387085
植物源:

3-[(2-O-beta-D-呋喃芹糖基-D-吡喃葡萄糖基)氧基]-2-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮(142473-99-2)名称与标识符

名称

中文别名:
3-[(2-O-beta-D-呋喃芹糖基-D-吡喃葡萄糖基)氧基]-2-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮;沙苑子苷B;
英文别名:
3-O-beta-D-apiofuranosyl(1-2)-beta-D-glucopyranosyl rhamnocitrin 4-O-beta-D-glucopyranoside;3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one;4H-1-BEnzopyran-4-one, 3-[(2-O-D-apio-;A-D-furanosyl-D-glucopyranosyl)oxy]-2-[4-(;A-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-;7-Methoxy-3-[(2-O-D-apio-b;Complanatoside B;CS-0138774;142473-99-2;HY-N7903;MS-31340;AKOS040760216;3-o-β-D-apiofuranosyl(1-2)-β-D-glucopyranosyl rhamnocitrin 4'-o-β-D-glucopyranoside;G18556;3-o-beta-D-apiofuranosyl(1-2)-beta-D-glucopyranosylrhamnocitrin4'-o-beta-D-glucopyranoside;3-{[(2S,3R,4S,5S,6R)-3-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-7-methoxy-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one;DA-52032;

标识符

InChIKey:
YCXFPUHHUJNTNY-CUCHOISXSA-N
Inchi:
1S/C33H40O20/c1-46-14-6-15(37)19-16(7-14)49-26(12-2-4-13(5-3-12)48-30-25(43)23(41)20(38)17(8-34)50-30)27(22(19)40)52-31-28(24(42)21(39)18(9-35)51-31)53-32-29(44)33(45,10-36)11-47-32/h2-7,17-18,20-21,23-25,28-32,34-39,41-45H,8-11H2,1H3/t17-,18-,20-,21-,23+,24+,25-,28-,29+,30-,31+,32+,33-/m1/s1
SMILES:
O([C@H]1[C@@H]([C@@](CO)(CO1)O)O)[C@H]1[C@H](OC2C(C3C(=CC(=CC=3OC=2C2C=CC(=CC=2)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)OC)O)=O)O[C@H](CO)[C@H]([C@@H]1O)O

3-[(2-O-beta-D-呋喃芹糖基-D-吡喃葡萄糖基)氧基]-2-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮(142473-99-2)物化性质

实验特性

  • 溶解度 : 几乎不溶 (0.02 g/L) (25 ºC),
  • 颜色与性状 : Powder
  • 密度 : 1.76±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 756.21129366 g/mol
  • 氢键供体数量 : 11
  • 氢键受体数量 : 20
  • 可旋转化学键数量 : 11
  • 同位素质量 : 756.21129366 g/mol
  • 重原子数量 : 53
  • 复杂度 : 1280
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 13
  • 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) : -2
  • 拓扑分子极性表面积 : 313
  • 分子量 : 756.7

3-[(2-O-beta-D-呋喃芹糖基-D-吡喃葡萄糖基)氧基]-2-[4-(beta-D-吡喃葡萄糖基氧基)苯基]-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮(142473-99-2)推荐厂家 更多厂家(19)