NP-MRD: Showing NP-Card for Rebaudioside G (NP0141051)

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Record Information

Version

2.0

Created at

2022-06-29 22:08:37 UTC

Updated at

2022-06-29 22:08:38 UTC

NP-MRD ID

NP0141051

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rebaudioside G

Description

Rebaudioside g belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) moiety. Thus, rebaudioside g is considered to be an isoprenoid. Based on a literature review very few articles have been published on Rebaudioside g.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306302200082D          

 56 62  0  0  1  0            999 V2000
    3.4675   -1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7079   -0.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2660   -0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0712   -0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183   -0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    0.5959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9549    0.4163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4013    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2888    0.0848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8891   -0.5680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6457   -1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005   -1.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2392   -0.9158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8145   -0.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8565   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0431   -0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780    0.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5504   -1.3699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993   -2.1934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3369   -2.5629    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3858   -3.3865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6970   -3.8405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0406   -3.4711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0895   -2.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294   -3.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671   -3.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7459   -4.6641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234   -3.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1723   -4.5795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9099   -4.9489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9588   -5.7725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2700   -6.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5324   -5.8571    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4835   -5.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8436   -6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924   -7.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3189   -7.0501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6964   -6.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987   -4.4949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0257   -2.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088    1.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3478    1.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1402    1.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1431    0.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7308    1.5345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5261    1.3151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1138    1.8941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9062    2.6925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1109    2.9120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5232    2.3330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9033    3.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4910    4.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    3.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9090    1.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7337    0.5166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 10 18  1  0  0  0  0
 14 19  1  6  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  0  0  0  0
 24 26  1  1  0  0  0
 26 27  1  0  0  0  0
 23 28  1  6  0  0  0
 22 29  1  1  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  1  0  0  0
 36 37  1  0  0  0  0
 33 38  1  6  0  0  0
 32 39  1  1  0  0  0
 31 40  1  6  0  0  0
 21 41  1  6  0  0  0
  6 42  1  1  0  0  0
  6 43  1  6  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 46 45  1  6  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
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 46 51  1  0  0  0  0
 50 52  1  6  0  0  0
 52 53  1  0  0  0  0
 49 54  1  1  0  0  0
 48 55  1  6  0  0  0
 47 56  1  1  0  0  0
M  END

     RDKit          3D

116122  0  0  0  0  0  0  0  0999 V2000
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    3.2171   -0.9572   -2.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652306302200082D          

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  2  1  1  6  0  0  0
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  5  6  1  0  0  0  0
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  2  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  6  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 10 18  1  0  0  0  0
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 22 23  1  0  0  0  0
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 26 27  1  0  0  0  0
 23 28  1  6  0  0  0
 22 29  1  1  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 34 36  1  1  0  0  0
 36 37  1  0  0  0  0
 33 38  1  6  0  0  0
 32 39  1  1  0  0  0
 31 40  1  6  0  0  0
 21 41  1  6  0  0  0
  6 42  1  1  0  0  0
  6 43  1  6  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 46 45  1  6  0  0  0
 46 47  1  0  0  0  0
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 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 46 51  1  0  0  0  0
 50 52  1  6  0  0  0
 52 53  1  0  0  0  0
 49 54  1  1  0  0  0
 48 55  1  6  0  0  0
 47 56  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0141051

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-28(48)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-29(49)30(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1

> <INCHI_KEY>
OKPSCKUJXYCMPR-GXTBKCSKSA-N

> <FORMULA>
C38H60O18

> <MOLECULAR_WEIGHT>
804.88

> <EXACT_MASS>
804.377965092

$$$$

HEADER    PROTEIN                                 30-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUN-22         0                                  
HETATM    1  C   UNK     0       6.473  -2.165   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.921  -0.692   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.963  -1.826   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.466  -1.491   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.927  -0.022   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.886   1.112   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.383   0.777   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.349   1.942   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.839   1.628   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.272   0.158   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.393  -1.060   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.939  -2.638   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.361  -2.938   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.313  -1.709   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.387  -0.838   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.599  -0.265   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.081  -0.007   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.759   0.870   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.027  -2.557   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.119  -4.094   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.496  -4.784   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.587  -6.321   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.301  -7.169   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.076  -6.479   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.167  -4.942   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -1.362  -7.327   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.739  -6.637   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.392  -8.706   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       3.964  -7.011   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.055  -8.548   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.432  -9.238   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.523 -10.775   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.237 -11.623   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.860 -10.933   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.769  -9.396   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.575 -11.781   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.666 -13.318   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.329 -13.160   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.900 -11.465   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.718  -8.390   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       3.781  -3.936   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       8.603   2.626   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.983   2.193   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       9.595   3.684   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      11.467   1.784   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      12.564   2.864   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      14.049   2.455   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      15.146   3.536   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      14.758   5.026   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      13.274   5.436   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      12.177   4.355   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      12.886   6.926   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      13.983   8.007   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      15.855   6.107   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      16.630   3.126   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0      14.436   0.964   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7   11                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   42   43                                             
CONECT    7    6    2    8                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15   18                                             
CONECT   11   10    2   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   19                                             
CONECT   15   14   10                                                       
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   10                                                       
CONECT   19   14   20                                                       
CONECT   20   19   21   25                                                  
CONECT   21   20   22   41                                                  
CONECT   22   21   23   29                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24   20                                                       
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28   23                                                            
CONECT   29   22   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32   40                                                  
CONECT   32   31   33   39                                                  
CONECT   33   32   34   38                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34   30                                                       
CONECT   36   34   37                                                       
CONECT   37   36                                                            
CONECT   38   33                                                            
CONECT   39   32                                                            
CONECT   40   31                                                            
CONECT   41   21                                                            
CONECT   42    6                                                            
CONECT   43    6   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45   47   51                                                  
CONECT   47   46   48   56                                                  
CONECT   48   47   49   55                                                  
CONECT   49   48   50   54                                                  
CONECT   50   49   51   52                                                  
CONECT   51   50   46                                                       
CONECT   52   50   53                                                       
CONECT   53   52                                                            
CONECT   54   49                                                            
CONECT   55   48                                                            
CONECT   56   47                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  124    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₆₀O₁₈

Average Mass

804.8800 Da

Monoisotopic Mass

804.37797 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-28(48)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-29(49)30(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33+,35-,36-,37-,38+/m1/s1

InChI Key

OKPSCKUJXYCMPR-GXTBKCSKSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Steviol glycosides

Alternative Parents

Substituents

Steviol glycoside
Diterpenoid
Kaurane diterpenoid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Disaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Fatty acyl
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Polyol
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Primary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Carbonyl group
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10212342

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21591681

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Rebaudioside G (NP0141051)

MOL for NP0141051 (Rebaudioside G)

3D MOL for NP0141051 (Rebaudioside G)

3D SDF for NP0141051 (Rebaudioside G)

3D-SDF for NP0141051 (Rebaudioside G)

PDB for NP0141051 (Rebaudioside G)

3D PDB for NP0141051 (Rebaudioside G)

SMILES for NP0141051 (Rebaudioside G)

INCHI for NP0141051 (Rebaudioside G)

Structure for NP0141051 (Rebaudioside G)

3D Structure for NP0141051 (Rebaudioside G)