土大黄苷结构式

土大黄苷
中文名称:土大黄苷
英文名称:Rhapontin
CAS No.:155-58-8
分子式:C21H24O9 分子量:420.4099
土大黄苷 数据
Mol:
  0  0  0  0  0
   14.9563    5.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    7.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756    5.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3159    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6756    2.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5966    3.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 12  1  0  0  0  0
 14 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 20  1  0  0  0  0
M  END                                
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土大黄苷 Smile 编码:
COC1=CC=C(/C=C/C2C=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=2)C=C1O
土大黄苷 InChi 编码:
1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
土大黄苷 InChiKey 编码:
GKAJCVFOJGXVIA-DXKBKAGUSA-N