NP-MRD: Showing NP-Card for 5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid (NP0158512)

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Record Information

Version

2.0

Created at

2022-09-02 16:07:14 UTC

Updated at

2022-09-02 16:07:15 UTC

NP-MRD ID

NP0158512

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid

Description

5-{[3-({3,4-Dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid is found in Medicago truncatula. 5-{[3-({3,4-Dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241506082D          

 40 43  0  0  0  0            999 V2000
    1.9028    1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    1.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5017   -0.7455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7988    0.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5636   -1.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0116   -2.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3819   -4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1533004241506082D          

 40 43  0  0  0  0            999 V2000
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    0.0470   -4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -3.9425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 29 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 18 39  1  0  0  0  0
 14 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0158512

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C(=O)OCC1(O)COC(OC2C(O)C(O)COC2OC2=CC=C(O)C(=C2)C(O)=O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H28O15/c1-35-17-6-11(2-4-15(17)27)22(33)37-9-25(34)10-38-24(20(25)30)40-19-18(29)16(28)8-36-23(19)39-12-3-5-14(26)13(7-12)21(31)32/h2-7,16,18-20,23-24,26-30,34H,8-10H2,1H3,(H,31,32)

> <INCHI_KEY>
AARWFJMSRMBDND-UHFFFAOYSA-N

> <FORMULA>
C25H28O15

> <MOLECULAR_WEIGHT>
568.484

> <EXACT_MASS>
568.142820202

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
54.79438353896254

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid

> <ALOGPS_LOGP>
0.26

> <JCHEM_LOGP>
0.7935291306666673

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.990773209546115

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5120854474620895

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5268953575648183

> <JCHEM_POLAR_SURFACE_AREA>
231.12999999999997

> <JCHEM_REFRACTIVITY>
128.3942

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.98e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       3.552   3.506   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.028   2.042   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.997   0.897   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.473  -0.567   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.443  -1.712   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.936  -1.392   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.461   0.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.491   1.217   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.015   2.682   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.919  -3.176   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.425  -3.497   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.888  -4.321   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.364  -5.786   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.303  -5.786   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.580  -7.835   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.104  -9.300   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.564  -9.300   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.342 -10.546   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.285 -11.953   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.816 -12.114   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.722 -10.868   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.443 -13.520   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.974 -13.681   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.538 -14.766   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.006 -14.605   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.620 -13.198   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.152 -13.037   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.057 -14.283   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.431 -15.690   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.336 -16.936   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.867 -16.775   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -5.773 -18.021   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -5.494 -15.368   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.589 -14.122   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -7.025 -15.207   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -7.652 -13.800   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -7.931 -16.453   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.088  -7.835   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.377  -7.359   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    5   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   39                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   39                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   27                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   20   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   35                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34   29                                                       
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   18   14   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoate	Generator

Chemical Formula

C₂₅H₂₈O₁₅

Average Mass

568.4840 Da

Monoisotopic Mass

568.14282 Da

IUPAC Name

5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid

Traditional Name

5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C(=O)OCC1(O)COC(OC2C(O)C(O)COC2OC2=CC=C(O)C(=C2)C(O)=O)C1O

InChI Identifier

InChI=1S/C25H28O15/c1-35-17-6-11(2-4-15(17)27)22(33)37-9-25(34)10-38-24(20(25)30)40-19-18(29)16(28)8-36-23(19)39-12-3-5-14(26)13(7-12)21(31)32/h2-7,16,18-20,23-24,26-30,34H,8-10H2,1H3,(H,31,32)

InChI Key

AARWFJMSRMBDND-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
Medicago truncatula	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
O-glycosyl compound
P-hydroxybenzoic acid alkyl ester
P-hydroxybenzoic acid ester
M-methoxybenzoic acid or derivatives
Disaccharide
Methoxyphenol
Salicylic acid or derivatives
Salicylic acid
Hydroxybenzoic acid
Benzoate ester
4-alkoxyphenol
Benzoic acid or derivatives
Benzoic acid
Benzoyl
Anisole
Phenoxy compound
Methoxybenzene
Phenol ether
Alkyl aryl ether
Phenol
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Benzenoid
Oxane
Vinylogous acid
Tetrahydrofuran
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Acetal
Oxacycle
Organoheterocyclic compound
Ether
Carboxylic acid derivative
Carboxylic acid
Organic oxide
Hydrocarbon derivative
Alcohol
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	0.26	ALOGPS
logP	0.79	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	2.51	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	231.13 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	128.39 m³·mol⁻¹	ChemAxon
Polarizability	54.79 Å³	ChemAxon
Number of Rings	4	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

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

LOTUS database [Link]

Showing NP-Card for 5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid (NP0158512)

MOL for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

3D MOL for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

3D SDF for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

3D-SDF for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

PDB for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

3D PDB for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

SMILES for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

INCHI for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

Structure for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)

3D Structure for NP0158512 (5-{[3-({3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxolan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-2-hydroxybenzoic acid)