NP-MRD: Showing NP-Card for Floranotoginsenoside D (NP0086352)

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Record Information

Version

2.0

Created at

2022-04-29 06:39:34 UTC

Updated at

2022-04-29 06:39:34 UTC

NP-MRD ID

NP0086352

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Floranotoginsenoside D

Description

Floranotoginsenoside D is found in Panax notoginseng . Based on a literature review very few articles have been published on (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2S)-2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-6-methylhept-6-en-2-yl]-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292208392D          

 80 87  0  0  1  0            999 V2000
    0.7182   -3.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -2.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -3.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -2.2077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9098   -2.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4416   -1.7222    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2537   -1.8674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5340   -2.6434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3461   -2.7886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6264   -3.5645    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0946   -4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4385   -3.7097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7188   -4.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9704   -3.0790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7825   -3.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6901   -2.3031    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2219   -1.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9416   -0.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8779   -2.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855   -1.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5976   -1.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -0.4608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0370    0.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -0.3156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4128    0.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    0.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613   -0.9463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -1.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.9173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069   -1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.7721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0584   -2.5480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -0.8509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7114   -0.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -1.4816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3228   -0.7393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -2.2576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3340   -2.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.5084    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2939   -0.8571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6425   -0.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -0.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4893    0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9957    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8129    1.0969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6848    1.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    2.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9452   -1.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7094   -1.0526    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3607   -1.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1249   -1.2480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7762   -1.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6634   -2.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3147   -3.0780    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1072   -2.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5702   -3.5315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3947   -3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7838   -4.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0638   -4.1829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2931   -4.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879   -3.9026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6050   -4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2377   -0.4308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0019   -0.1199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5864    0.0756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6993    0.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8222   -0.2353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1709    0.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977   -1.6639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1814   -3.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9660   -3.4691    0.0000 H   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
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
  9 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
  6 27  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  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  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  1  0  0  0
 43 44  1  1  0  0  0
 43 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
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 43 52  1  1  0  0  0
 53 52  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  1  0  0  0
 56 57  1  0  0  0  0
 58 57  1  6  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  1  0  0  0
 61 62  1  0  0  0  0
 60 63  1  0  0  0  0
 63 64  1  6  0  0  0
 63 65  1  0  0  0  0
 58 65  1  0  0  0  0
 65 66  1  1  0  0  0
 55 67  1  0  0  0  0
 67 68  1  6  0  0  0
 67 69  1  0  0  0  0
 69 70  1  1  0  0  0
 69 71  1  0  0  0  0
 53 71  1  0  0  0  0
 71 72  1  6  0  0  0
 42 73  1  6  0  0  0
 39 74  1  6  0  0  0
 39 75  1  0  0  0  0
 32 75  1  0  0  0  0
 75 76  1  1  0  0  0
 75 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 30 79  1  0  0  0  0
  2 79  1  0  0  0  0
 79 80  1  6  0  0  0
M  END

     RDKit          3D

166173  0  0  0  0  0  0  0  0999 V2000
    7.1824   -5.5066    1.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2450   -4.6027    1.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3436   -4.6847    3.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699   -3.4873    0.9727 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0296   -3.6056   -0.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449   -3.5553    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002   -2.4651   -0.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3977   -1.0388   -0.1330 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1409   -0.2735   -1.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6747   -0.7591    0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4016    0.3171    0.1553 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5433    0.2925   -0.6727 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7402    0.4249   -0.0516 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8511    0.2309   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7718    1.1883   -2.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9518    2.4763   -1.6356 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8723    3.3296   -1.8558 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    4.6201   -1.7474 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5786    5.0084   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3663    4.9517    0.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7435    4.5901   -2.3804 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7149    5.0984   -3.6772 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1399    3.1544   -2.2973 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2664    3.0771   -1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8325    0.7150    1.5408 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9639    2.1146    1.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217   -0.6507    0.8406 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2864    0.8331    1.1137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0719    1.3517    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    0.3299    0.6769 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7997    0.5940    2.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9206   -0.9734    0.4785 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1171   -1.9369    1.2520 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6495   -3.0336    1.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0666   -2.3057    0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8852   -1.0489    0.2362 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2603   -1.2044   -0.3552 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3400   -1.7835   -1.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4017   -2.3536    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1713   -1.0825    0.2208 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3088   -1.3915   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4797   -1.2074    0.1270 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0483   -2.4685    0.3404 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1753   -5.0735   -2.1274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1509   -2.3816   -2.0600 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9242   -3.0193   -3.0634 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8505   -0.2330   -2.9622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4098   -0.3444   -0.6814 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.6211   -0.1256   -0.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7784    1.2253    0.2125 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.8558    1.4391    1.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0399    2.7769    1.9093 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.2138    2.9813    2.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3197    4.3410    3.1204 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1467    3.6982    0.7417 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.8907    4.1256    0.2716 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0397    3.2165   -0.3632 C   0  0  2  0  0  0  0  0  0  0  0  0
  -12.2860    3.8345   -0.3489 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1053    1.7203   -0.3747 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.3400    1.1710   -1.6257 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652304292208392D          

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   10.1072   -2.8487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5702   -3.5315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3947   -3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7838   -4.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0638   -4.1829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2931   -4.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879   -3.9026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6050   -4.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2377   -0.4308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0019   -0.1199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5864    0.0756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6993    0.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8222   -0.2353    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1709    0.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5977   -1.6639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4850   -3.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1814   -3.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9660   -3.4691    0.0000 H   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
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
  9 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
  6 27  1  0  0  0  0
  4 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  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  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  1  0  0  0
 43 44  1  1  0  0  0
 43 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
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 43 52  1  1  0  0  0
 53 52  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  1  0  0  0
 56 57  1  0  0  0  0
 58 57  1  6  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  1  0  0  0
 61 62  1  0  0  0  0
 60 63  1  0  0  0  0
 63 64  1  6  0  0  0
 63 65  1  0  0  0  0
 58 65  1  0  0  0  0
 65 66  1  1  0  0  0
 55 67  1  0  0  0  0
 67 68  1  6  0  0  0
 67 69  1  0  0  0  0
 69 70  1  1  0  0  0
 69 71  1  0  0  0  0
 53 71  1  0  0  0  0
 71 72  1  6  0  0  0
 42 73  1  6  0  0  0
 39 74  1  6  0  0  0
 39 75  1  0  0  0  0
 32 75  1  0  0  0  0
 75 76  1  1  0  0  0
 75 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 30 79  1  0  0  0  0
  2 79  1  0  0  0  0
 79 80  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0086352

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C53H90O23/c1-22(2)24(57)10-16-53(8,76-47-43(68)39(64)37(62)29(73-47)21-69-45-41(66)36(61)28(20-56)70-45)23-9-14-52(7)33(23)25(58)17-31-50(5)13-12-32(49(3,4)30(50)11-15-51(31,52)6)74-48-44(40(65)35(60)27(19-55)72-48)75-46-42(67)38(63)34(59)26(18-54)71-46/h23-48,54-68H,1,9-21H2,2-8H3/t23-,24?,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1

> <INCHI_KEY>
BVGIWTIWQZWOAI-YTCPUDGYSA-N

> <FORMULA>
C53H90O23

> <MOLECULAR_WEIGHT>
1095.28

> <EXACT_MASS>
1094.587289158

> <JCHEM_ACCEPTOR_COUNT>
23

> <JCHEM_ATOM_COUNT>
166

> <JCHEM_AVERAGE_POLARIZABILITY>
116.81659093255718

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2S)-2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-6-methylhept-6-en-2-yl]-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.68

> <JCHEM_LOGP>
-2.0939472323333335

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.1850550697001

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.751526036687542

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6486743719488306

> <JCHEM_POLAR_SURFACE_AREA>
377.29

> <JCHEM_REFRACTIVITY>
261.36960000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2S)-2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-6-methylhept-6-en-2-yl]-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       1.341  -6.744   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.810  -5.298   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.521  -6.072   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.182  -4.121   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.698  -4.392   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.691  -3.215   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.207  -3.486   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.730  -4.934   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -6.246  -5.205   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.769  -6.654   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -5.777  -7.831   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -8.285  -6.925   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -8.809  -8.373   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -9.278  -5.747   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -10.794  -6.019   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -8.755  -4.299   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -9.748  -3.122   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -9.224  -1.673   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.239  -4.028   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -5.200  -2.309   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -6.716  -2.580   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.676  -0.860   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.669   0.317   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -3.160  -0.589   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.637   0.859   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.121   1.130   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -2.168  -1.766   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.341  -2.673   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.857  -2.402   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.850  -3.579   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.373  -2.131   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.366  -3.308   0.000  0.00  0.00           C+0
HETATM   33  H   UNK     0       3.842  -4.756   0.000  0.00  0.00           H+0
HETATM   34  C   UNK     0       4.889  -1.859   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.405  -1.588   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.928  -0.140   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       7.398  -2.766   0.000  0.00  0.00           C+0
HETATM   38  H   UNK     0       8.069  -1.380   0.000  0.00  0.00           H+0
HETATM   39  C   UNK     0       6.874  -4.214   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.090  -5.159   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.365  -4.295   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.937  -2.816   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.882  -1.600   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.666  -0.655   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      10.827  -0.384   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.247   1.042   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      11.192   2.258   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      12.717   2.047   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      10.612   3.685   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       9.086   3.895   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      11.557   4.900   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      11.098  -2.545   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      12.524  -1.965   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      13.740  -2.910   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      15.166  -2.330   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      16.382  -3.275   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      16.172  -4.800   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      17.387  -5.746   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      18.867  -5.318   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      19.731  -6.592   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      21.270  -6.642   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0      21.996  -8.000   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0      18.786  -7.808   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      19.214  -9.287   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      17.337  -7.285   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      16.063  -8.149   0.000  0.00  0.00           O+0
HETATM   67  C   UNK     0      15.377  -0.804   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      16.804  -0.224   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0      14.161   0.141   0.000  0.00  0.00           C+0
HETATM   70  O   UNK     0      14.372   1.667   0.000  0.00  0.00           O+0
HETATM   71  C   UNK     0      12.735  -0.439   0.000  0.00  0.00           C+0
HETATM   72  O   UNK     0      11.519   0.506   0.000  0.00  0.00           O+0
HETATM   73  H   UNK     0      10.449  -3.106   0.000  0.00  0.00           H+0
HETATM   74  C   UNK     0       6.505  -5.709   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       5.358  -4.485   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       5.939  -5.912   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0       4.835  -5.934   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0       3.319  -6.205   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0       2.326  -5.027   0.000  0.00  0.00           C+0
HETATM   80  H   UNK     0       1.803  -6.476   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3    4   79                                             
CONECT    3    2                                                            
CONECT    4    2    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   27                                                  
CONECT    7    6    8   20                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   19                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16    9                                                       
CONECT   20    7   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24    6                                                       
CONECT   28    4   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32   79                                             
CONECT   31   30                                                            
CONECT   32   30   33   34   75                                             
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39   42                                             
CONECT   38   37                                                            
CONECT   39   37   40   74   75                                             
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   37   43   73                                             
CONECT   43   42   44   45   52                                             
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   43   53                                                       
CONECT   53   52   54   71                                                  
CONECT   54   53   55                                                       
CONECT   55   54   56   67                                                  
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59   65                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61   63                                                  
CONECT   61   60   62                                                       
CONECT   62   61                                                            
CONECT   63   60   64   65                                                  
CONECT   64   63                                                            
CONECT   65   63   58   66                                                  
CONECT   66   65                                                            
CONECT   67   55   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   70   71                                                  
CONECT   70   69                                                            
CONECT   71   69   53   72                                                  
CONECT   72   71                                                            
CONECT   73   42                                                            
CONECT   74   39                                                            
CONECT   75   39   32   76   77                                             
CONECT   76   75                                                            
CONECT   77   75   78                                                       
CONECT   78   77   79                                                       
CONECT   79   78   30    2   80                                             
CONECT   80   79                                                            
MASTER        0    0    0    0    0    0    0    0   80    0  174    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₃H₉₀O₂₃

Average Mass

1095.2800 Da

Monoisotopic Mass

1094.58729 Da

IUPAC Name

(2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-14-[(2S)-2-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-hydroxy-6-methylhept-6-en-2-yl]-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CCC(O)C(C)=C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C53H90O23/c1-22(2)24(57)10-16-53(8,76-47-43(68)39(64)37(62)29(73-47)21-69-45-41(66)36(61)28(20-56)70-45)23-9-14-52(7)33(23)25(58)17-31-50(5)13-12-32(49(3,4)30(50)11-15-51(31,52)6)74-48-44(40(65)35(60)27(19-55)72-48)75-46-42(67)38(63)34(59)26(18-54)71-46/h23-48,54-68H,1,9-21H2,2-8H3/t23-,24?,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1

InChI Key

BVGIWTIWQZWOAI-YTCPUDGYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Panax notoginseng	Plant	KNApSAcK

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.68	ALOGPS
logP	-2.1	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	11.75	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	23	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	377.29 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	261.37 m³·mol⁻¹	ChemAxon
Polarizability	116.82 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00056571

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

163183857

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Floranotoginsenoside D (NP0086352)

MOL for NP0086352 (Floranotoginsenoside D)

3D MOL for NP0086352 (Floranotoginsenoside D)

3D SDF for NP0086352 (Floranotoginsenoside D)

3D-SDF for NP0086352 (Floranotoginsenoside D)

PDB for NP0086352 (Floranotoginsenoside D)

3D PDB for NP0086352 (Floranotoginsenoside D)

SMILES for NP0086352 (Floranotoginsenoside D)

INCHI for NP0086352 (Floranotoginsenoside D)

Structure for NP0086352 (Floranotoginsenoside D)

3D Structure for NP0086352 (Floranotoginsenoside D)