118544-18-6 (宝藿苷V,Baohuoside V)

CAS号:
118544-18-6
中文名称:
宝藿苷V
英文名称:
Baohuoside V
分子式:
C38H48O19
分子量:
808.776333808899
简介:
Baohuoside V 是从干的 Epimedium davidii 药草中分离出的一种黄酮类化合物。
植物源:

宝藿苷V(118544-18-6)名称与标识符

名称

中文别名:
宝藿苷V;
英文别名:
4H-1-Benzopyran-4-one,3-[[6-deoxy-2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-mannopyranosyl]oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-;4H-1-Benzopyran-4-one,3-[[6-deoxy-2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-mannopyranosyl]oxy]-7-(b-D-glucopyranosyloxy)-5-hydrox;Baohuoside V;4H-1-Benzopyran-4-one,3-[[6-deoxy-2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-mannopyranosyl]oxy]-7-(b-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-(9CI);Diphylloside B;3-[[6-Deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl]oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one;3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydr;Diphylloside B; Baohuoside V;118544-18-6;HY-N2280;CS-0019609;AKOS037515074;3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;FS-7113;BaohuosideV;DA-71287;3-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one;

标识符

InChIKey:
ABEPLDYBWOKMCT-UHFFFAOYSA-N
Inchi:
1S/C38H48O19/c1-13(2)5-10-18-20(53-37-31(50)28(47)25(44)21(12-39)54-37)11-19(41)22-26(45)34(32(55-33(18)22)16-6-8-17(40)9-7-16)56-38-35(29(48)24(43)15(4)52-38)57-36-30(49)27(46)23(42)14(3)51-36/h5-9,11,14-15,21,23-25,27-31,35-44,46-50H,10,12H2,1-4H3
SMILES:
O(C1C(C(C(C(C)O1)O)O)O)C1C(OC2=C(C3C=CC(=CC=3)O)OC3C(C/C=C(\C)/C)=C(C=C(C=3C2=O)O)OC2C(C(C(C(CO)O2)O)O)O)OC(C)C(C1O)O

宝藿苷V(118544-18-6)物化性质

实验特性

  • 溶解度 : Insuluble (3.2E-3 g/L) (25 ºC),
  • 颜色与性状 : Yellow powder
  • 密度 : 1.62±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 808.27897930 g/mol
  • 氢键供体数量 : 11
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 10
  • 同位素质量 : 808.27897930 g/mol
  • 重原子数量 : 57
  • 复杂度 : 1430
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 15
  • 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) : 0.2
  • 拓扑分子极性表面积 : 304
  • 分子量 : 808.8