NP-MRD: Showing NP-Card for 2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate (NP0303545)

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Record Information

Version

2.0

Created at

2022-09-10 17:59:44 UTC

Updated at

2022-09-10 17:59:44 UTC

NP-MRD ID

NP0303545

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

Description

2-[4-({4-[(3,4-Dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. 2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate is found in Saussurea involucrata. 2-[4-({4-[(3,4-Dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004191523242D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004191523242D          

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   -7.4201    0.3052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0224    0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1939    1.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2377    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6246    0.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7962    1.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5808    1.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1831    2.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3254   -1.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123   -1.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9277   -1.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1539   -2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
 15 37  1  0  0  0  0
  6 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0303545

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(CC2COC(=O)C2CC2=CC=C(OC3OC(CO)C(O)C(O)C3OC(C)=O)C(OC)=C2)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C29H36O12/c1-15(31)39-27-26(33)25(32)24(13-30)41-29(27)40-21-8-6-17(12-23(21)37-4)10-19-18(14-38-28(19)34)9-16-5-7-20(35-2)22(11-16)36-3/h5-8,11-12,18-19,24-27,29-30,32-33H,9-10,13-14H2,1-4H3

> <INCHI_KEY>
OPZWYYQGJOHLPG-UHFFFAOYSA-N

> <FORMULA>
C29H36O12

> <MOLECULAR_WEIGHT>
576.595

> <EXACT_MASS>
576.220676599

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
58.58459197064629

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
1.610733884000001

> <ALOGPS_LOGS>
-3.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.017254972153722

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.695230902396371

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981093000758144

> <JCHEM_POLAR_SURFACE_AREA>
159.44

> <JCHEM_REFRACTIVITY>
141.41260000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.14e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.755  -7.835   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.231  -9.300   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.771  -9.300   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.676 -10.546   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.247  -7.835   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.712  -7.359   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -7.032  -5.853   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -8.496  -5.377   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.817  -3.871   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -7.672  -2.840   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -7.992  -1.334   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -9.457  -0.858   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -10.601  -1.888   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -12.066  -1.413   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -13.210  -2.443   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0     -12.890  -3.949   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0     -12.386   0.094   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0     -13.851   0.570   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0     -11.242   1.124   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -11.562   2.631   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -9.777   0.648   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -8.633   1.679   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -8.953   3.185   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0     -10.417   3.661   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -7.808   4.216   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.207  -3.316   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -5.063  -2.286   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -3.598  -2.762   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.887  -4.822   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    8   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   37                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   34                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   29                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   20   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   18   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   15                                                       
CONECT   38    6   39                                                       
CONECT   39   38    3   40                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetic acid	Generator

Chemical Formula

C₂₉H₃₆O₁₂

Average Mass

576.5950 Da

Monoisotopic Mass

576.22068 Da

IUPAC Name

2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

Traditional Name

2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=CC=C(CC2COC(=O)C2CC2=CC=C(OC3OC(CO)C(O)C(O)C3OC(C)=O)C(OC)=C2)C=C1OC

InChI Identifier

InChI=1S/C29H36O12/c1-15(31)39-27-26(33)25(32)24(13-30)41-29(27)40-21-8-6-17(12-23(21)37-4)10-19-18(14-38-28(19)34)9-16-5-7-20(35-2)22(11-16)36-3/h5-8,11-12,18-19,24-27,29-30,32-33H,9-10,13-14H2,1-4H3

InChI Key

OPZWYYQGJOHLPG-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
Saussurea involucrata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Lignan glycosides

Sub Class

Not Available

Direct Parent

Lignan glycosides

Alternative Parents

Substituents

Lignan glycoside
Hydrolyzable tannin
1-aryltetralin lignan
Tannin
Gallic acid or derivatives
O-glycosyl compound
P-hydroxybenzoic acid alkyl ester
P-hydroxybenzoic acid ester
M-methoxybenzoic acid or derivatives
Glycosyl compound
Methoxyphenol
Benzoate ester
M-dimethoxybenzene
Dimethoxybenzene
Tetralin
Benzoic acid or derivatives
Phenoxy compound
Phenol ether
Anisole
Benzoyl
Methoxybenzene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Oxane
Monosaccharide
Secondary alcohol
Carboxylic acid ester
Polyol
Ether
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Acetal
Monocarboxylic acid or derivatives
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
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	2.41	ALOGPS
logP	1.61	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	12.7	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	159.44 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	141.41 m³·mol⁻¹	ChemAxon
Polarizability	58.58 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 2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate (NP0303545)

MOL for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

3D MOL for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

3D SDF for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

3D-SDF for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

PDB for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

3D PDB for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

SMILES for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

INCHI for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

Structure for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)

3D Structure for NP0303545 (2-[4-({4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl}methyl)-2-methoxyphenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate)