NP-MRD: Showing NP-Card for lanatoside e (NP0257866)

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Record Information

Version

2.0

Created at

2022-09-07 23:07:30 UTC

Updated at

2022-09-07 23:07:30 UTC

NP-MRD ID

NP0257866

Secondary Accession Numbers

None

Natural Product Identification

Common Name

lanatoside e

Description

Lanatoside E belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety. lanatoside e is found in Digitalis lanata. Based on a literature review a small amount of articles have been published on Lanatoside E.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082201072D          

 71 79  0  0  1  0            999 V2000
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   -5.4734   -0.2657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1931    0.5102    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 68 70  1  0  0  0  0
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 70 71  1  1  0  0  0
M  END

     RDKit          3D

147155  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309082201072D          

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> <DATABASE_ID>
NP0257866

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C[C@]32O)OC=O)C2=CC(=O)OC2)C1

> <INCHI_IDENTIFIER>
InChI=1S/C50H76O21/c1-22-44(69-38-16-32(55)45(23(2)64-38)70-39-17-33(66-25(4)53)46(24(3)65-39)71-47-43(59)42(58)41(57)35(19-51)68-47)31(54)15-37(63-22)67-28-9-11-48(5)27(14-28)7-8-30-29(48)10-12-49(6)40(26-13-36(56)61-20-26)34(62-21-52)18-50(30,49)60/h13,21-24,27-35,37-47,51,54-55,57-60H,7-12,14-20H2,1-6H3/t22-,23-,24-,27-,28+,29+,30-,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49-,50+/m1/s1

> <INCHI_KEY>
YMKWEJBJAVBYHU-SBTGRVASSA-N

> <FORMULA>
C50H76O21

> <MOLECULAR_WEIGHT>
1013.137

> <EXACT_MASS>
1012.487909467

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
147

> <JCHEM_AVERAGE_POLARIZABILITY>
106.45781876374264

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1S,2S,5S,7R,10R,11S,13S,14R,15R)-13-(formyloxy)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate

> <JCHEM_LOGP>
1.2786494030000017

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.1890295569671

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.819602680021028

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083565227408

> <JCHEM_POLAR_SURFACE_AREA>
294.34999999999997

> <JCHEM_REFRACTIVITY>
239.49200000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1S,2S,5S,7R,10R,11S,13S,14R,15R)-13-(formyloxy)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0     -16.281  -1.580   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -17.274  -0.403   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0     -18.790  -0.674   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0     -16.750   1.045   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0     -15.234   1.316   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -14.242   0.139   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -12.726   0.410   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0     -11.733  -0.767   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -10.217  -0.496   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -9.694   0.952   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0     -10.687   2.130   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -8.178   1.223   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -7.185   0.046   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -5.669   0.317   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -4.676  -0.860   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.160  -0.589   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.637   0.859   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.168  -1.766   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.691  -3.215   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.698  -4.392   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.182  -4.121   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.341  -2.673   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.857  -2.402   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.850  -3.579   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.373  -2.131   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.366  -3.308   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.889  -1.859   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.405  -1.588   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.398  -2.766   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.069  -1.380   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.937  -2.816   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.882  -1.600   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.421  -1.650   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.944  -0.202   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      13.424   0.226   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      10.728   0.744   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.454  -0.121   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.365  -4.295   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.813  -4.818   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      11.084  -6.334   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      12.533  -6.857   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       8.090  -5.159   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.874  -4.214   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       6.505  -5.709   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       5.358  -4.485   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.835  -5.934   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       3.319  -6.205   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       2.326  -5.027   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       0.810  -5.298   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -4.207  -3.486   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -5.200  -2.309   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -6.716  -2.580   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -7.708  -1.402   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -9.224  -1.673   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -9.748  -3.122   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0     -12.202   1.859   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0     -13.195   3.036   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0     -12.672   4.484   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0     -14.711   2.765   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0     -15.704   3.942   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0     -17.220   3.671   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0     -17.743   2.223   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0     -19.259   1.952   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0     -19.782   0.503   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0     -21.298   0.232   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0     -20.252   3.129   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0     -21.768   2.858   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0     -19.729   4.577   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0     -20.721   5.755   0.000  0.00  0.00           O+0
HETATM   70  C   UNK     0     -18.213   4.848   0.000  0.00  0.00           C+0
HETATM   71  O   UNK     0     -17.689   6.297   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   59                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   56                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   54                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   53                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   51                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   50                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   49                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26   48                                             
CONECT   25   24                                                            
CONECT   26   24   27   45                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31   43                                             
CONECT   30   29                                                            
CONECT   31   29   32   38                                                  
CONECT   32   31   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   32                                                       
CONECT   38   31   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   38   43                                                       
CONECT   43   42   29   44   45                                             
CONECT   44   43                                                            
CONECT   45   43   26   46                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   24   49                                                  
CONECT   49   48   21                                                       
CONECT   50   19   51                                                       
CONECT   51   50   15   52                                                  
CONECT   52   51                                                            
CONECT   53   13   54                                                       
CONECT   54   53    9   55                                                  
CONECT   55   54                                                            
CONECT   56    7   57                                                       
CONECT   57   56   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57    5   60                                                  
CONECT   60   59   61                                                       
CONECT   61   60   62   70                                                  
CONECT   62   61   63                                                       
CONECT   63   62   64   66                                                  
CONECT   64   63   65                                                       
CONECT   65   64                                                            
CONECT   66   63   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69   70                                                  
CONECT   69   68                                                            
CONECT   70   68   61   71                                                  
CONECT   71   70                                                            
MASTER        0    0    0    0    0    0    0    0   71    0  158    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₀H₇₆O₂₁

Average Mass

1013.1370 Da

Monoisotopic Mass

1012.48791 Da

IUPAC Name

(2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1S,2S,5S,7R,10R,11S,13S,14R,15R)-13-(formyloxy)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate

Traditional Name

(2R,3R,4S,6S)-6-{[(2R,3S,4S,6S)-6-{[(2R,3S,4S,6R)-6-{[(1S,2S,5S,7R,10R,11S,13S,14R,15R)-13-(formyloxy)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-2-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl acetate

CAS Registry Number

Not Available

SMILES

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C[C@]32O)OC=O)C2=CC(=O)OC2)C1

InChI Identifier

InChI=1S/C50H76O21/c1-22-44(69-38-16-32(55)45(23(2)64-38)70-39-17-33(66-25(4)53)46(24(3)65-39)71-47-43(59)42(58)41(57)35(19-51)68-47)31(54)15-37(63-22)67-28-9-11-48(5)27(14-28)7-8-30-29(48)10-12-49(6)40(26-13-36(56)61-20-26)34(62-21-52)18-50(30,49)60/h13,21-24,27-35,37-47,51,54-55,57-60H,7-12,14-20H2,1-6H3/t22-,23-,24-,27-,28+,29+,30-,31+,32+,33+,34+,35-,37+,38+,39+,40+,41-,42+,43-,44-,45-,46-,47+,48+,49-,50+/m1/s1

InChI Key

YMKWEJBJAVBYHU-SBTGRVASSA-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

Species Name	Source	Reference
Digitalis lanata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cardenolide glycosides and derivatives. Cardenolide glycosides and derivatives are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid lactones

Direct Parent

Cardenolide glycosides and derivatives

Alternative Parents

Substituents

Cardanolide-glycoside
Steroidal glycoside
Oligosaccharide
Steroid ester
14-hydroxysteroid
Hydroxysteroid
Glycosyl compound
O-glycosyl compound
Tricarboxylic acid or derivatives
2-furanone
Oxane
Cyclic alcohol
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary alcohol
Lactone
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Carboxylic acid derivative
Polyol
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organic oxide
Organooxygen compound
Carbonyl group
Primary alcohol
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
logP	1.28	ChemAxon
pKa (Strongest Acidic)	6.82	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	294.35 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	239.49 m³·mol⁻¹	ChemAxon
Polarizability	106.46 Å³	ChemAxon
Number of Rings	9	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

Not Available

Chemspider ID

34991424

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15560068

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for lanatoside e (NP0257866)

MOL for NP0257866 (lanatoside e)

3D MOL for NP0257866 (lanatoside e)

3D SDF for NP0257866 (lanatoside e)

3D-SDF for NP0257866 (lanatoside e)

PDB for NP0257866 (lanatoside e)

3D PDB for NP0257866 (lanatoside e)

SMILES for NP0257866 (lanatoside e)

INCHI for NP0257866 (lanatoside e)

Structure for NP0257866 (lanatoside e)

3D Structure for NP0257866 (lanatoside e)