NP-MRD: Showing NP-Card for Isoscoparin 4'-glucoside (NP0045728)

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Record Information

Version

2.0

Created at

2022-03-17 19:36:28 UTC

Updated at

2022-03-17 19:36:28 UTC

NP-MRD ID

NP0045728

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isoscoparin 4'-glucoside

Description

Not Available

Structure

MOL SDF PDB SMILES InChI

  Mrv0541 02241212232D          

 44 48  0  0  0  0            999 V2000
   -3.5080   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2224   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -3.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935   -3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -3.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0790   -4.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222   -0.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2078   -0.2771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 41 44  1  0  0  0  0
M  END

  Mrv0541 02241212232D          

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   -4.2224   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -3.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935   -3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7935   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -3.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644   -0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6501   -1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0644   -2.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788   -1.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933   -2.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5080   -4.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9369   -1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0790   -4.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222   -0.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367   -0.2771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6367    0.5479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9222    0.9604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2078    0.5479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2078   -0.2771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4933   -0.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4933    0.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512   -0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512    0.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6514   -3.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6514   -4.8146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9369   -4.4021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9369   -3.5771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -7.0803   -4.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 41 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0045728

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC(=O)C2=C(O1)C=C(O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O16/c1-40-14-4-9(2-3-12(14)43-28-26(39)24(37)21(34)17(8-30)44-28)13-5-10(31)18-15(41-13)6-11(32)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-30,32-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1

> <INCHI_KEY>
VAOOAPRSEDZAEV-JFECCKQBSA-N

> <FORMULA>
C28H32O16

> <MOLECULAR_WEIGHT>
624.5441

> <EXACT_MASS>
624.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
60.664325243633115

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

> <ALOGPS_LOGP>
-0.70

> <JCHEM_LOGP>
-2.476371130333333

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.896121672944115

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.197960103388124

> <JCHEM_PKA_STRONGEST_BASIC>
-3.644730891784403

> <JCHEM_POLAR_SURFACE_AREA>
265.52

> <JCHEM_REFRACTIVITY>
144.6398

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -6.548  -3.597   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.882  -4.367   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.548  -6.677   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.215  -5.907   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.215  -4.367   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.881  -3.597   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -3.881  -6.677   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.547  -5.907   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.547  -4.367   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.214  -3.597   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.120  -1.287   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.214  -2.057   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.120  -4.367   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.454  -3.597   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.454  -2.057   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.787  -4.367   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       4.121  -3.597   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -6.548  -8.217   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -9.216  -3.597   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -3.881  -8.217   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       5.455  -1.287   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       6.789  -0.517   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.789   1.023   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.455   1.793   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.121   1.023   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.121  -0.517   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.787  -1.287   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.787   1.793   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.122  -1.287   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.122   1.793   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.455   3.333   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       9.456  -0.517   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -10.549  -5.907   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -11.883  -6.677   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -11.883  -8.217   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.549  -8.987   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -9.216  -8.217   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -9.216  -6.677   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -7.882  -5.907   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -7.882  -8.987   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0     -13.217  -5.907   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -13.217  -8.987   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0     -10.549 -10.527   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0     -14.550  -6.677   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1   39   19                                                  
CONECT    3   39    4   18                                                  
CONECT    4    3    5    7                                                  
CONECT    5    1    6    4                                                  
CONECT    6    5    9                                                       
CONECT    7    4    8   20                                                  
CONECT    8    7    9                                                       
CONECT    9    8    6   10                                                  
CONECT   10    9   12   13                                                  
CONECT   11   12   15                                                       
CONECT   12   10   11                                                       
CONECT   13   10   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14   11   27                                                  
CONECT   16   14   17                                                       
CONECT   17   16                                                            
CONECT   18    3                                                            
CONECT   19    2                                                            
CONECT   20    7                                                            
CONECT   21   22   26                                                       
CONECT   22   21   23   29                                                  
CONECT   23   22   24   30                                                  
CONECT   24   23   25   31                                                  
CONECT   25   24   26   28                                                  
CONECT   26   21   25   27                                                  
CONECT   27   15   26                                                       
CONECT   28   25                                                            
CONECT   29   22   32                                                       
CONECT   30   23                                                            
CONECT   31   24                                                            
CONECT   32   29                                                            
CONECT   33   34   38                                                       
CONECT   34   33   35   41                                                  
CONECT   35   34   36   42                                                  
CONECT   36   35   37   43                                                  
CONECT   37   36   38   40                                                  
CONECT   38   33   37   39                                                  
CONECT   39    2    3   38                                                  
CONECT   40   37                                                            
CONECT   41   34   44                                                       
CONECT   42   35                                                            
CONECT   43   36                                                            
CONECT   44   41                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₂O₁₆

Average Mass

624.5441 Da

Monoisotopic Mass

624.16903 Da

IUPAC Name

5,7-dihydroxy-2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(3-methoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC(=O)C2=C(O1)C=C(O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2O

InChI Identifier

InChI=1S/C28H32O16/c1-40-14-4-9(2-3-12(14)43-28-26(39)24(37)21(34)17(8-30)44-28)13-5-10(31)18-15(41-13)6-11(32)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-30,32-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26-,27+,28-/m1/s1

InChI Key

VAOOAPRSEDZAEV-JFECCKQBSA-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
Cucumis sativus L.	FooDB	KNAPSACK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glycosides

Alternative Parents

Substituents

Flavonoid o-glycoside
Flavonoid-4p-o-glycoside
Flavonoid c-glycoside
3p-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavone
7-hydroxyflavonoid
5-hydroxyflavonoid
Phenolic glycoside
C-glycosyl compound
Glycosyl compound
Chromone
O-glycosyl compound
1-benzopyran
Benzopyran
Methoxybenzene
Anisole
Phenoxy compound
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Benzenoid
Pyran
Monocyclic benzene moiety
Monosaccharide
Oxane
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Dialkyl ether
Hydrocarbon derivative
Primary alcohol
Organic oxygen compound
Organooxygen compound
Alcohol
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	-0.7	ALOGPS
logP	-2.5	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	6.2	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	144.64 m³·mol⁻¹	ChemAxon
Polarizability	60.66 Å³	ChemAxon
Number of Rings	5	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

FDB001708

KNApSAcK ID

Not Available

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Isoscoparin 4'-glucoside (NP0045728)

MOL for NP0045728 (Isoscoparin 4'-glucoside)

3D MOL for NP0045728 (Isoscoparin 4'-glucoside)

3D SDF for NP0045728 (Isoscoparin 4'-glucoside)

3D-SDF for NP0045728 (Isoscoparin 4'-glucoside)

PDB for NP0045728 (Isoscoparin 4'-glucoside)

3D PDB for NP0045728 (Isoscoparin 4'-glucoside)

SMILES for NP0045728 (Isoscoparin 4'-glucoside)

INCHI for NP0045728 (Isoscoparin 4'-glucoside)

Structure for NP0045728 (Isoscoparin 4'-glucoside)

3D Structure for NP0045728 (Isoscoparin 4'-glucoside)