黄芪皂苷 Ⅳ结构式

中文名称:黄芪皂苷 Ⅳ
英文名称:Astragaloside IV
CAS No.:84687-43-4
分子式:C41H68O14 分子量:784.970234870911
黄芪皂苷 Ⅳ 数据
Mol:
 0  0  0
    2.1651    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7805   -4.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -5.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2367   -5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9867   -6.6731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8468   -4.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2588   -6.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -5.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723   -7.2136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0088   -8.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8905   -9.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1040   -8.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6770  -10.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7722  -11.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4912   -8.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547   -7.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  1  6
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  1  0
 12 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  6
  8 21  1  0
  7 22  1  1
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  1
 27 26  1  6
 27 28  1  0
 28 29  1  1
 28 30  1  0
 30 31  1  6
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 25 36  1  0
 36 37  1  0
  4 38  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  1
 40 42  1  0
 42 43  1  0
 43 44  1  1
 43 45  1  0
 42 46  1  1
 46 47  1  1
 46 48  1  0
 48 49  1  0
 49 50  1  6
 50 51  1  0
 50 52  1  0
 50 53  1  0
 49 54  1  0
 54 55  1  0
 40  2  1  0
 45  2  1  0
  3 21  1  6
  6  4  1  0
 37  5  1  0
 19 10  1  0
 35 27  1  0
 55 46  1  0
M  END                                
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黄芪皂苷 Ⅳ Smile 编码:
C[C@@]12C[C@H](O)[C@H]([C@]3(CC[C@@H](C(O)(C)C)O3)C)[C@@]1(C)CC[C@@]13C[C@]41CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)[C@@H]4[C@H](C[C@@H]23)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
黄芪皂苷 Ⅳ InChi 编码:
1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39+,40-,41+/m0/s1
黄芪皂苷 Ⅳ InChiKey 编码:
QMNWISYXSJWHRY-YLNUDOOFSA-N