NP-MRD: Showing NP-Card for Vescalagin (NP0333052)

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Record Information

Version

2.0

Created at

2024-05-04 04:19:47 UTC

Updated at

2025-02-11 15:44:38 UTC

NP-MRD ID

NP0333052

Natural Product DOI

https://doi.org/10.57994/2348

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Vescalagin

Description

Vescalagin belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Vescalagin was first documented in 2023 (PMID: 38247456). Based on a literature review a significant number of articles have been published on Vescalagin (PMID: 39274862) (PMID: 38805688) (PMID: 38422938) (PMID: 37948120) (PMID: 38359463).

Structure

MOL SDF PDB SMILES InChI


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M  END


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  2 66  1  0  0  0  0
 66 67  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333052

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)O[C@@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]1[C@@H]2OC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31+,34-,35?,36+/m1/s1

> <INCHI_KEY>
UDYKDZHZAKSYCO-YYIICHMDSA-N

> <FORMULA>
C41H26O26

> <MOLECULAR_WEIGHT>
934.633

> <EXACT_MASS>
934.071230957

> <JCHEM_ACCEPTOR_COUNT>
21

> <JCHEM_ATOM_COUNT>
93

> <JCHEM_AVERAGE_POLARIZABILITY>
81.20986214924363

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
16

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone

> <JCHEM_LOGP>
2.0259335789999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
7.396535828736303

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.838155491727212

> <JCHEM_PKA_STRONGEST_BASIC>
-6.177204321276063

> <JCHEM_POLAR_SURFACE_AREA>
455.18000000000006

> <JCHEM_REFRACTIVITY>
212.68650000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-JAN-23         0                                  
HETATM    1  O   UNK     0       0.593  -9.860   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.067  -8.468   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.829  -7.177   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.422  -6.981   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.318  -8.233   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.131  -5.519   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.132  -4.388   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.622  -4.503   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.257  -3.239   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.888  -4.014   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.793  -2.819   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.170  -2.710   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.488  -2.726   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.721  -3.842   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.150  -3.127   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.390  -4.040   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.405  -1.586   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.177  -0.648   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.431   0.871   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -0.698  -1.140   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.462  -0.018   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.523   1.165   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.047   1.386   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.009   2.610   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -0.976   3.794   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.527   2.872   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       2.059   4.317   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.512   1.689   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.980   0.244   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -4.837  -1.018   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.214  -1.170   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.260  -3.170   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.909  -4.567   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.209  -5.392   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.749  -5.382   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.832  -6.920   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.205  -7.618   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      10.287  -9.155   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      11.495  -6.777   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.413  -5.239   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      12.703  -4.399   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      10.040  -4.542   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.671  -3.137   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.104  -3.701   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      13.470  -4.412   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      13.309  -2.742   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      14.742  -3.306   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      13.080  -1.219   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      14.285  -0.260   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      11.647  -0.655   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      10.443  -1.614   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      12.868  -7.475   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0       6.784  -6.872   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       5.470  -1.644   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       5.045  -0.099   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0       3.548   0.315   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       3.721   1.845   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0       6.472  -0.474   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0       7.947  -0.032   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0       9.427  -0.457   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      10.252   0.844   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0      -0.002  -5.858   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      -1.548  -5.570   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -2.346  -6.956   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      -3.886  -6.926   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      -1.618  -8.344   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      -2.467  -9.629   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   66                                                  
CONECT    3    2    4   62                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   62                                                  
CONECT    9    8                                                            
CONECT   10    6   11   32                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   31                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15   63                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   30                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13   21                                                  
CONECT   21   20   22   29                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   21   56                                                  
CONECT   30   17                                                            
CONECT   31   12                                                            
CONECT   32   10   33   54                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   53                                                  
CONECT   35   34   36   42                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   52                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   35   43                                                  
CONECT   43   42   44   51                                                  
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51                                                       
CONECT   51   50   43   60                                                  
CONECT   52   39                                                            
CONECT   53   34                                                            
CONECT   54   32   55   58                                                  
CONECT   55   54   56                                                       
CONECT   56   55   29   57                                                  
CONECT   57   56                                                            
CONECT   58   54   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   51   61                                                  
CONECT   61   60                                                            
CONECT   62    3    8   63                                                  
CONECT   63   62   14   64                                                  
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64    2   67                                                  
CONECT   67   66                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  150    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₂₆O₂₆

Average Mass

934.6330 Da

Monoisotopic Mass

934.07123 Da

IUPAC Name

(1R,2R,20R,42S,46S)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.1^{38,42}.0^{2,20}.0^{5,10}.0^{11,16}.0^{23,28}.0^{33,45}.0^{34,39}]hexatetraconta-5,7,9,11,13,15,23,25,27,29,31,33(45),34(39),35,37-pentadecaene-4,17,22,40,44-pentone

Traditional Name

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C3C(=C(O)C(O)=C1O)C1=C(O)C(O)=C(O)C=C1C(=O)O[C@@H]1COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]1[C@@H]2OC3=O

InChI Identifier

InChI=1S/C41H26O26/c42-8-1-5-12(24(48)21(8)45)13-6(2-9(43)22(46)25(13)49)39(60)65-34-11(4-63-37(5)58)64-38(59)7-3-10(44)23(47)26(50)14(7)15-18-16(28(52)32(56)27(15)51)17-19-20(30(54)33(57)29(17)53)31(55)35(66-41(19)62)36(34)67-40(18)61/h1-3,11,31,34-36,42-57H,4H2/t11-,31+,34-,35?,36+/m1/s1

InChI Key

UDYKDZHZAKSYCO-YYIICHMDSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	benjamin.metoyer@gmail.com	Polyphénols Biotech-ADERA, Unité de recherche Œnologie, UMR 1366 INRAE, ISVV, 33882 Villenave-d'Ornon, France	Benjamin Métoyer	2024-05-04	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	benjamin.metoyer@gmail.com	Polyphénols Biotech-ADERA, Unité de recherche Œnologie, UMR 1366 INRAE, ISVV, 33882 Villenave-d'Ornon, France	Benjamin Métoyer	2024-05-04	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	benjamin.metoyer@gmail.com	Polyphénols Biotech-ADERA, Unité de recherche Œnologie, UMR 1366 INRAE, ISVV, 33882 Villenave-d'Ornon, France	Benjamin Métoyer	2024-05-04	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	benjamin.metoyer@gmail.com	Polyphénols Biotech-ADERA, Unité de recherche Œnologie, UMR 1366 INRAE, ISVV, 33882 Villenave-d'Ornon, France	Benjamin Métoyer	2024-05-04	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	benjamin.metoyer@gmail.com	Polyphénols Biotech-ADERA, Unité de recherche Œnologie, UMR 1366 INRAE, ISVV, 33882 Villenave-d'Ornon, France	Benjamin Métoyer	2024-05-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	benjamin.metoyer@gmail.com	Polyphénols Biotech-ADERA, Unité de recherche Œnologie, UMR 1366 INRAE, ISVV, 33882 Villenave-d'Ornon, France	Benjamin Métoyer	2024-05-04	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600.27, CD₃OD, simulated)	benjamin.metoyer@gmail.com	Institut des sciences de la vigne et du vin	Métoyer	2024-05-04	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Castanea sativa		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Hydrolyzable tannins

Direct Parent

Hydrolyzable tannins

Alternative Parents

Substituents

Hydrolyzable tannin
Gallic acid or derivatives
Benzopyran
Isochromane
2-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Carboxylic acid ester
Secondary alcohol
Lactone
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Organooxygen compound
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	2.03	ChemAxon
pKa (Strongest Acidic)	6.84	ChemAxon
pKa (Strongest Basic)	-6.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	21	ChemAxon
Hydrogen Donor Count	16	ChemAxon
Polar Surface Area	455.18 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	212.69 m³·mol⁻¹	ChemAxon
Polarizability	81.21 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	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Castalagin

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zitek Makoter T, Knez Marevci M, Knez Z: Ellagitannin Content in Extracts of the Chestnut Wood Aesculus. Molecules. 2024 Aug 25;29(17):4015. doi: 10.3390/molecules29174015. [PubMed:39274862 ]
Mokhtari M, Amiri P, Miller D, Gresham D, Bloor SJ, Munkacsi AB: Chemical genomic analysis reveals the interplay between iron chelation, zinc homeostasis, and retromer function in the bioactivity of an ethanol adduct of the feijoa fruit-derived ellagitannin vescalagin. G3 (Bethesda). 2024 Jul 8;14(7):jkae098. doi: 10.1093/g3journal/jkae098. [PubMed:38805688 ]
Freser F, Bren U, Hostnik G: Chelation of iron(II) ions by ellagitannins-Effects of hexahydroxydiphenoyl and nonahydroxytriphenoyl groups. Spectrochim Acta A Mol Biomol Spectrosc. 2024 May 15;313:124079. doi: 10.1016/j.saa.2024.124079. Epub 2024 Feb 24. [PubMed:38422938 ]
Dah-Nouvlessounon D, Chokki M, Hoteyi IMS, Fassinou F, Ranga F, Fetea F, Diaconeasa Z, Vodnar D, Furdui B, Baba-Moussa F, Dinica RM, Suharoschi R, Baba-Moussa L: Pharmacological Property and Cytotoxic Effect Showing Antiproliferative Potency in Human Melanoma Cell Lines (A375) of Combretum racemosum P. Beauv. Leaf and Root Extracts Used in Benin. Antioxidants (Basel). 2023 Dec 22;13(1):31. doi: 10.3390/antiox13010031. [PubMed:38247456 ]
Kempf K, Capello Y, Melhem R, Lescoat C, Kempf O, Cornu A, Fremaux I, Chaignepain S, Groppi A, Nikolski M, Deffieux D, Genot E, Quideau S: Systemic Convergent Multitarget Interactions of Plant Polyphenols Revealed by Affinity-Based Protein Profiling of Bone Cells Using C-Glucosidic Vescal(ag)in-Bearing Chemoproteomic Probes. ACS Chem Biol. 2023 Dec 15;18(12):2495-2505. doi: 10.1021/acschembio.3c00440. Epub 2023 Nov 10. [PubMed:37948120 ]
Metoyer B, Renouf E, Jourdes M, Merillon JM, Teguo PW: Isolation of Hydrolyzable Tannins from Castanea sativa Using Centrifugal Partition Chromatography. J Nat Prod. 2024 Apr 26;87(4):652-663. doi: 10.1021/acs.jnatprod.3c00524. Epub 2024 Feb 15. [PubMed:38359463 ]
DOI: 10.1021/acs.jnatprod.3c00524
PMID: 38359463

Showing NP-Card for Vescalagin (NP0333052)

MOL for NP0333052 (Vescalagin)

3D MOL for NP0333052 (Vescalagin)

3D SDF for NP0333052 (Vescalagin)

3D-SDF for NP0333052 (Vescalagin)

PDB for NP0333052 (Vescalagin)

3D PDB for NP0333052 (Vescalagin)

SMILES for NP0333052 (Vescalagin)

INCHI for NP0333052 (Vescalagin)

Structure for NP0333052 (Vescalagin)

3D Structure for NP0333052 (Vescalagin)