瓜子金皂苷己结构式

瓜子金皂苷己
中文名称:瓜子金皂苷己
英文名称:Polygalasaponin F
CAS No.:882664-74-6
分子式:C53H86O23 分子量:1091.23615980148
瓜子金皂苷己 数据
Mol:
0 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405   -9.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800  -11.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105  -10.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -10.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500  -11.6913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -11.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500  -14.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000  -15.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500  -14.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -15.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -12.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -12.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -7.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  1
  6  5  1  6
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  1  6
 13 12  1  6
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  1  0
 11 22  1  0
 22 23  1  1
 22 24  1  0
  4 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  6
 30 31  1  0
 29 32  1  0
  1 33  2  0
 34  1  1  6
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  1  0
 37 41  1  0
 41 42  1  6
 41 43  1  0
 43 44  1  6
 44 45  1  0
 43 46  1  0
 46 47  1  6
 46 48  1  0
 48 49  1  6
 49 50  1  0
 48 51  1  0
 51 52  1  0
 52 53  1  0
 51 54  1  6
 51 55  1  0
 55 56  1  6
 57 56  1  1
 57 58  1  0
 58 59  1  0
 59 60  1  1
 60 61  1  0
 59 62  1  0
 62 63  1  6
 62 64  1  0
 64 65  1  1
 64 66  1  0
 66 67  1  6
 55 68  1  0
 68 69  1  6
 68 70  1  0
 35 71  1  1
 71 72  1  0
 72 73  1  0
 72 74  1  0
 72 75  1  0
 75 76  1  0
 32  3  1  0
 24  6  1  0
 21 13  1  0
 40 34  1  0
 76 34  1  0
 36 45  2  0
 50 41  1  0
 70 46  1  0
 66 57  1  0
M  END                                
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瓜子金皂苷己 Smile 编码:
C([C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@]4(C[C@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(CC2)C)C)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
瓜子金皂苷己 InChi 编码:
1S/C53H86O23/c1-22-40(73-43-37(65)31(59)26(58)20-69-43)36(64)39(67)44(70-22)74-41-35(63)33(61)28(19-55)72-46(41)76-47(68)53-14-12-48(2,3)16-24(53)23-8-9-30-49(4)17-25(57)42(75-45-38(66)34(62)32(60)27(18-54)71-45)50(5,21-56)29(49)10-11-52(30,7)51(23,6)13-15-53/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
瓜子金皂苷己 InChiKey 编码:
VRDCOPNSCZLBLD-JKVIPCSCSA-N