原薯蓣皂甙结构式

中文名称:原薯蓣皂甙
英文名称:Protodioscin
CAS No.:55056-80-9
分子式:C51H84O22 分子量:1049.1995
原薯蓣皂甙 数据
Mol:
   22.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9095    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9095    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5498    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838   26.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6288    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615   27.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9885    9.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   29.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844   28.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   29.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3481    8.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9885    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1902    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3481    7.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2458   28.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8305    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9885    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1112    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27  1  1  1  0  0  0
  1 34  1  0  0  0  0
 34  2  1  0  0  0  0
 45  3  1  1  0  0  0
 48  3  1  1  0  0  0
  4 48  1  0  0  0  0
  4 53  1  0  0  0  0
  5 49  1  0  0  0  0
 55  5  1  1  0  0  0
 51  6  1  6  0  0  0
 57  6  1  1  0  0  0
 52  7  1  1  0  0  0
 54  8  1  6  0  0  0
 60  8  1  1  0  0  0
  9 55  1  0  0  0  0
  9 62  1  0  0  0  0
 10 57  1  0  0  0  0
 10 65  1  0  0  0  0
 11 56  1  0  0  0  0
 58 12  1  6  0  0  0
 13 60  1  0  0  0  0
 13 70  1  0  0  0  0
 59 14  1  6  0  0  0
 61 15  1  1  0  0  0
 63 16  1  6  0  0  0
 64 17  1  6  0  0  0
 66 18  1  6  0  0  0
 67 19  1  1  0  0  0
 20 68  1  0  0  0  0
 69 21  1  6  0  0  0
 71 22  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 30  1  0  0  0  0
 23 35  1  1  0  0  0
 24 26  1  0  0  0  0
 24 29  1  1  0  0  0
 25 27  1  1  0  0  0
 25 31  1  0  0  0  0
 26 28  1  0  0  0  0
 26 36  1  6  0  0  0
 27 29  1  0  0  0  0
 28 32  1  1  0  0  0
 28 33  1  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 40  1  6  0  0  0
 33 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  1  0  0  0
 34 42  1  1  0  0  0
 36 39  1  0  0  0  0
 37 39  2  0  0  0  0
 37 43  1  0  0  0  0
 38 44  1  0  0  0  0
 42 46  1  0  0  0  0
 43 45  1  0  0  0  0
 44 45  1  0  0  0  0
 47 46  1  1  0  0  0
 47 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 54  1  0  0  0  0
 53 54  1  0  0  0  0
 53 56  1  1  0  0  0
 55 58  1  0  0  0  0
 57 59  1  0  0  0  0
 58 61  1  0  0  0  0
 59 64  1  0  0  0  0
 60 66  1  0  0  0  0
 61 63  1  0  0  0  0
 62 63  1  0  0  0  0
 62 68  1  1  0  0  0
 64 67  1  0  0  0  0
 65 67  1  0  0  0  0
 65 72  1  6  0  0  0
 66 69  1  0  0  0  0
 69 71  1  0  0  0  0
 70 71  1  0  0  0  0
 70 73  1  6  0  0  0
M  END                                
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原薯蓣皂甙 Smile 编码:
O1[C@](CC[C@@H](C)CO[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)([C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O
原薯蓣皂甙 InChi 编码:
1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
原薯蓣皂甙 InChiKey 编码:
LVTJOONKWUXEFR-UEZXSUPNSA-N