NP-MRD: Showing NP-Card for Hydroxytyrosol 1-O-glucoside (NP0137122)

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Record Information

Version

2.0

Created at

2022-05-30 16:42:20 UTC

Updated at

2022-05-30 16:42:20 UTC

NP-MRD ID

NP0137122

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Hydroxytyrosol 1-O-glucoside

Description

Hydroxytyrosol 1-O-glucoside, also known as 3,4-dihydroxyphenethyl glucoside, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Hydroxytyrosol 1-O-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Hydroxytyrosol 1-O-glucoside has been detected, but not quantified in, fruits. Hydroxytyrosol 1-O-glucoside is found in Aconitum napellus, Cassytha filiformis, Chelone obliqua, Conocephalum conicum, Lepisorus contortus, Ligustrum vulgare, Marchantia polymorpha, Millingtonia hortensis, Olea europaea, Prunus grayana, Reboulia hemisphaerica, Ricciocarpos natans, Sargentodoxa cuneata, Syringa pubescens, Syringa reticulata, Veronica thymoides and Zantedeschia aethiopica. This could make hydroxytyrosol 1-O-glucoside a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -4.5622    0.7118    2.5845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6701    0.3767    1.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5054   -0.5429    0.8350 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3057    0.0641    1.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328    0.0027   -0.0389 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3510    0.8386    0.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8550    0.1424    0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    1.1396    0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744    0.5093    0.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7618   -0.0378    1.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0039   -0.6319    1.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586   -0.6803    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9947   -1.2763    0.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958   -0.1405   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0461   -0.1827   -1.7280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0413    0.4526   -0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377    0.6226   -1.2272 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2215    0.8475   -2.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2932   -0.2126   -1.6468 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3165    0.6598   -2.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7282   -1.0964   -0.5337 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1118   -1.3117   -0.6790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0388    1.5324    2.7092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6359   -0.1467    1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6717    1.2508    0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5786   -1.4101    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982   -1.0346   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8400   -0.7147    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876   -0.2496   -0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.9118   -0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6853    1.5924    1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552    0.0125    2.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386   -1.0430    2.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3431   -1.6740    1.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9535   -0.6231   -1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061    0.8687   -1.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4855    1.6289   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128    1.6990   -2.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0298   -0.8184   -2.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9313    1.1409   -2.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2631   -2.1113   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2440   -2.0669   -1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 16  2  0
 16 14  1  0
 14 15  1  0
 14 12  2  0
 12 13  1  0
 12 11  1  0
 11 10  2  0
  5 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21  3  1  0
 10  9  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  1
  5 27  1  6
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
 16 36  1  0
 15 35  1  0
 13 34  1  0
 11 33  1  0
 10 32  1  0
 17 37  1  1
 18 38  1  0
 19 39  1  6
 20 40  1  0
 21 41  1  1
 22 42  1  0
M  END


  Mrv0541 05061312202D          

 22 23  0  0  0  0            999 V2000
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21  4  1  0  0  0  0
 21 14  1  0  0  0  0
 22 10  1  0  0  0  0
 22 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0137122

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OCCC2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2

> <INCHI_KEY>
PQQITYGQJLPDFC-UHFFFAOYSA-N

> <FORMULA>
C14H20O8

> <MOLECULAR_WEIGHT>
316.3038

> <EXACT_MASS>
316.115817616

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
31.206243366420303

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.27

> <JCHEM_LOGP>
-0.8834090353333333

> <ALOGPS_LOGS>
-1.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.128195234935804

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.446351031215197

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083411880946

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
74.004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -2.667  10.780   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -5.335   9.240   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    8                                                       
CONECT    3    4    7                                                       
CONECT    4    3   21                                                       
CONECT    5    7    9                                                       
CONECT    6   10   15                                                       
CONECT    7    1    3    5                                                  
CONECT    8    2    9   16                                                  
CONECT    9    5    8   17                                                  
CONECT   10    6   11   22                                                  
CONECT   11   10   12   18                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   21   22                                                  
CONECT   15    6                                                            
CONECT   16    8                                                            
CONECT   17    9                                                            
CONECT   18   11                                                            
CONECT   19   12                                                            
CONECT   20   13                                                            
CONECT   21    4   14                                                       
CONECT   22   10   14                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
(-)-3,4-Dihydroxyphenethyl glucoside	HMDB
3,4-Dihydroxyphenethyl glucoside	HMDB

Chemical Formula

C₁₄H₂₀O₈

Average Mass

316.3038 Da

Monoisotopic Mass

316.11582 Da

IUPAC Name

2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OCC1OC(OCCC2=CC(O)=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2

InChI Key

PQQITYGQJLPDFC-UHFFFAOYSA-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
Aconitum napellus	LOTUS Database	35616633
Cassytha filiformis	LOTUS Database	35616633
Chelone obliqua	LOTUS Database	35616633
Conocephalum conicum	LOTUS Database	35616633
Lepisorus contortus	LOTUS Database	35616633
Ligustrum vulgare	LOTUS Database	35616633
Marchantia polymorpha	LOTUS Database	35616633
Millingtonia hortensis	LOTUS Database	35616633
Olea europaea	LOTUS Database	35616633
Prunus grayana	LOTUS Database	35616633
Reboulia hemisphaerica	LOTUS Database	35616633
Ricciocarpos natans	LOTUS Database	35616633
Sargentodoxa cuneata	LOTUS Database	35616633
Syringa pubescens Turcz.	LOTUS Database	35616633
Syringa reticulata	LOTUS Database	35616633
Veronica thymoides	LOTUS Database	35616633
Zantedeschia aethiopica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Tyrosol derivative
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Oxane
Secondary alcohol
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Alcohol
Primary alcohol
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	-1.3	ALOGPS
logP	-0.88	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	9.45	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	139.84 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	74 m³·mol⁻¹	ChemAxon
Polarizability	31.21 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0041024

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13845930

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Hydroxytyrosol 1-O-glucoside (NP0137122)

MOL for NP0137122 (Hydroxytyrosol 1-O-glucoside)

3D MOL for NP0137122 (Hydroxytyrosol 1-O-glucoside)

3D SDF for NP0137122 (Hydroxytyrosol 1-O-glucoside)

3D-SDF for NP0137122 (Hydroxytyrosol 1-O-glucoside)

PDB for NP0137122 (Hydroxytyrosol 1-O-glucoside)

3D PDB for NP0137122 (Hydroxytyrosol 1-O-glucoside)

SMILES for NP0137122 (Hydroxytyrosol 1-O-glucoside)

INCHI for NP0137122 (Hydroxytyrosol 1-O-glucoside)

Structure for NP0137122 (Hydroxytyrosol 1-O-glucoside)

3D Structure for NP0137122 (Hydroxytyrosol 1-O-glucoside)