NP-MRD: Showing NP-Card for [3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate (NP0148183)

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Record Information

Version

2.0

Created at

2022-09-02 03:54:14 UTC

Updated at

2022-09-02 03:54:14 UTC

NP-MRD ID

NP0148183

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate

Description

[3,4-Dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate belongs to the class of organic compounds known as pyrrolizidines. Pyrrolizidines are compounds containing a pyrrolizidine, which is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom. [3,4-Dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171512432D          

 42 45  0  0  0  0            999 V2000
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    3.3596   -3.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004171512432D          

 42 45  0  0  0  0            999 V2000
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    2.2268  -12.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624  -13.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0775  -13.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130  -14.5626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9281  -15.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1076  -15.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6227  -15.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7721  -14.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570  -13.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557  -10.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708  -11.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202  -10.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997  -10.0406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7051   -9.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695   -8.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049   -6.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203   -6.4175    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
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 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
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 28 34  1  0  0  0  0
 24 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 22 39  1  0  0  0  0
 39 40  1  0  0  0  0
 19 41  1  0  0  0  0
 15 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0148183

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1OC)C(=O)OCC1(O)COC(OCC2OC(OCCC3=CC=C(O)C=C3)C(O)C(O)C2O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H36O14/c1-36-18-8-5-16(11-19(18)37-2)25(34)40-13-28(35)14-41-27(24(28)33)39-12-20-21(30)22(31)23(32)26(42-20)38-10-9-15-3-6-17(29)7-4-15/h3-8,11,20-24,26-27,29-33,35H,9-10,12-14H2,1-2H3

> <INCHI_KEY>
PGPDKMQOQDXHAJ-UHFFFAOYSA-N

> <FORMULA>
C28H36O14

> <MOLECULAR_WEIGHT>
596.582

> <EXACT_MASS>
596.210505839

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
59.98968825882224

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
0.3236145436666664

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.70405578449959

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.188466749022679

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648667947423088

> <JCHEM_POLAR_SURFACE_AREA>
203.06

> <JCHEM_REFRACTIVITY>
141.44170000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.80e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       4.844  -1.618   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.350  -1.938   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.826  -3.403   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.332  -3.723   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.808  -5.187   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.778  -6.332   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.271  -6.012   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.795  -4.547   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.289  -4.227   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.813  -2.762   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.253  -7.796   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.760  -8.117   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       7.223  -8.941   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.699 -10.406   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.638 -10.406   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       7.914 -12.455   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.438 -13.920   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.898 -13.920   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.993 -15.166   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.620 -16.573   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.714 -17.818   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.341 -19.225   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.436 -20.471   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.062 -21.878   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       4.157 -23.124   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.783 -24.531   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.878 -25.777   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.504 -27.184   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.599 -28.429   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.068 -28.268   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.162 -29.514   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.441 -26.862   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.346 -25.616   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.904 -20.310   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.999 -21.556   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.278 -18.903   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       0.746 -18.742   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.183 -17.657   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.556 -16.251   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       5.423 -12.455   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       3.958 -11.979   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                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   41                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   41                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   39                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   35                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   34                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   28                                                       
CONECT   35   24   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   22   40                                                  
CONECT   40   39                                                            
CONECT   41   19   15   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Value	Source
[3,4-Dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoic acid	Generator

Chemical Formula

C₂₈H₃₆O₁₄

Average Mass

596.5820 Da

Monoisotopic Mass

596.21051 Da

IUPAC Name

[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate

Traditional Name

[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1OC)C(=O)OCC1(O)COC(OCC2OC(OCCC3=CC=C(O)C=C3)C(O)C(O)C2O)C1O

InChI Identifier

InChI=1S/C28H36O14/c1-36-18-8-5-16(11-19(18)37-2)25(34)40-13-28(35)14-41-27(24(28)33)39-12-20-21(30)22(31)23(32)26(42-20)38-10-9-15-3-6-17(29)7-4-15/h3-8,11,20-24,26-27,29-33,35H,9-10,12-14H2,1-2H3

InChI Key

PGPDKMQOQDXHAJ-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolizidines. Pyrrolizidines are compounds containing a pyrrolizidine, which is a bicyclic ring system made up of two fused pyrrolidine ring sharing a nitrogen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolizidines

Sub Class

Not Available

Direct Parent

Pyrrolizidines

Alternative Parents

Substituents

Pyrrolizidine
Fatty acid ester
N-alkylpyrrolidine
Fatty acyl
1,3-aminoalcohol
Pyrrolidine
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Amino acid or derivatives
Tertiary aliphatic amine
Tertiary amine
Carboxylic acid ester
Azacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organonitrogen compound
Amine
Organic nitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organooxygen compound
Primary alcohol
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	0.93	ALOGPS
logP	0.32	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	10.19	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	203.06 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	141.44 m³·mol⁻¹	ChemAxon
Polarizability	59.99 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 [3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate (NP0148183)

MOL for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

3D MOL for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

3D SDF for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

3D-SDF for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

PDB for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

3D PDB for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

SMILES for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

INCHI for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

Structure for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)

3D Structure for NP0148183 ([3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3,4-dimethoxybenzoate)