毛花洋地黄苷 d结构式

毛花洋地黄苷 d
中文名称:毛花洋地黄苷 d
英文名称:Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-12,14,16-trihydroxy-,(3b,5b,12b,16b)- (9CI)
CAS No.:11030-31-2
分子式:C49H76O21 分子量:1001.11514
毛花洋地黄苷 d 数据
Mol:
.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0812   10.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   10.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   11.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   10.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   13.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018   12.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211   14.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808   13.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4404   14.1312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808   11.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0808   14.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3949   15.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456   16.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1195   18.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4793   19.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437   20.7163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6458   18.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0070   16.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   15.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476   17.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1937   14.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18  8  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  5  1  0  0  0  0
 22 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 31 32  1  6  0  0  0
 29 33  1  6  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 40 41  1  6  0  0  0
 38 42  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 43  1  0  0  0  0
 46 49  1  6  0  0  0
 46 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  1  0  0  0
 52 53  1  0  0  0  0
 53 45  1  0  0  0  0
 51 54  1  0  0  0  0
 54 55  1  6  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  6  0  0  0
 57 59  1  0  0  0  0
 50 59  1  6  0  0  0
 56 60  1  6  0  0  0
 56 61  1  0  0  0  0
 61 62  1  6  0  0  0
 62 63  2  0  0  0  0
 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
 64 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 62  1  0  0  0  0
 61 68  1  0  0  0  0
 68 69  1  6  0  0  0
 68 70  1  0  0  0  0
 70 54  1  0  0  0  0
M  END                                
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毛花洋地黄苷 d Smile 编码:
CC(O[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](OC4CC[C@@]5([C@H]6C[C@@H](O)[C@@]7([C@H]([C@H](C[C@]7(O)[C@@H]6CCC5C4)O)C4COC(=O)C=4)C)C)C[C@@H]3O)C[C@@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=O
毛花洋地黄苷 d InChi 编码:
InChI=1S/C49H76O21/c1-20-43(68-37-15-30(53)44(21(2)63-37)69-38-16-32(65-23(4)51)45(22(3)64-38)70-46-42(59)41(58)40(57)33(18-50)67-46)29(52)14-36(62-20)66-26-9-10-47(5)25(12-26)7-8-27-28(47)13-34(55)48(6)39(24-11-35(56)61-19-24)31(54)17-49(27,48)60/h11,20-22,25-34,36-46,50,52-55,57-60H,7-10,12-19H2,1-6H3/t20-,21-,22-,25?,26?,27-,28+,29+,30+,31+,32+,33-,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
毛花洋地黄苷 d InChiKey 编码:
CMJNCFRBMBTRSY-CRXYFKOTSA-N