476617-49-9 (Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside,Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside)

CAS号:
476617-49-9
中文名称:
Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
英文名称:
Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside
分子式:
C33H40O20
分子量:
756.658712387085

Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside(476617-49-9)名称与标识符

名称

英文别名:
Kaempferol-3-O-;A-L-rhamnopyranosyl-(1 inverted exclamation marku6)-;A-D-glucopyranosyl-(1 inverted exclamation marku2)-;A-D-glucopyranoside;Kaempferol-3-O-alpha-L-rhamnopyranosyl-(1-->6)-beta-D-glucopyranosyl-(1-->2)-beta-D-glucopyranoside;3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,;Kaempferol-3-O-|A-L-rhamnopyranosyl-(1 inverted exclamation marku6)-|A-D-glucopyranosyl-(1 inverted ;HY-N8163;KAEMPFEROL-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE;AKOS040763481;3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;Kaempferol-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosideKaempferol-3-O-alpha-L-rhamnopyranosyl-(1-->6)-beta-D-glucopyranosyl-(1-->2)-beta-D-glucopyranoside;1ST180445;3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;CS-0140230;476617-49-9;E88777;Kaempferol-3-O-??-L-rhamnopyranosyl-(1??6)-??-D-glucopyranosyl-(1??2)-??-D-glucopyranoside;DA-64700;FS-7284;

标识符

InChIKey:
DCHRRURXMLCREO-CFRIXVKNSA-N
Inchi:
1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)24(43)27(46)32(51-17)53-30-25(44)20(39)16(8-34)50-33(30)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23+,24-,25-,26+,27+,30+,31+,32-,33-/m0/s1
SMILES:
O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]2[C@@H]([C@@H]([C@H]([C@H](C)O2)O)O)O)O1)O)O)O)[C@H]1[C@H](OC2C(C3C(=CC(=CC=3OC=2C2C=CC(=CC=2)O)O)O)=O)O[C@H](CO)[C@H]([C@@H]1O)O

Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside(476617-49-9)物化性质

计算特性

  • 精确分子量 : 756.21129366g/mol
  • 氢键供体数量 : 12
  • 氢键受体数量 : 20
  • 可旋转化学键数量 : 9
  • 同位素质量 : 756.21129366g/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 : 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) : -2.5
  • 拓扑分子极性表面积 : 324

Kaempferol-3-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyl-(1→2)-β-D-glucopyranoside(476617-49-9)推荐厂家 更多厂家(13)