NP-MRD: Showing NP-Card for 4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one (NP0203487)

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Record Information

Version

2.0

Created at

2022-09-04 22:57:24 UTC

Updated at

2022-09-04 22:57:24 UTC

NP-MRD ID

NP0203487

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Description

4-[(3-{1,3-Dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety. 4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one is found in Arctium lappa. 4-[(3-{1,3-Dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241510242D          

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M  END

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M  END


  Mrv1533004241510242D          

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    4.6030   -7.7316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723   -7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926   -3.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676   -3.9294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -3.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281   -2.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222   -0.1848    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  1  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 10 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 24 32  1  0  0  0  0
  8 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  2  0  0  0  0
  5 37  2  0  0  0  0
 37 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
M  END
> <DATABASE_ID>
NP0203487

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(CC2C(CC3=CC(OC)=C(O)C(=C3)C(CO)C(O)C3=CC=C(O)C(CO)=C3)COC2=O)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H34O10/c1-38-26-10-16(3-5-25(26)34)8-21-20(15-40-30(21)37)7-17-9-22(29(36)27(11-17)39-2)23(14-32)28(35)18-4-6-24(33)19(12-18)13-31/h3-6,9-12,20-21,23,28,31-36H,7-8,13-15H2,1-2H3

> <INCHI_KEY>
ZYOJOPBUBPCEAV-UHFFFAOYSA-N

> <FORMULA>
C30H34O10

> <MOLECULAR_WEIGHT>
554.592

> <EXACT_MASS>
554.215197295

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
57.51844403122202

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

> <ALOGPS_LOGP>
2.37

> <JCHEM_LOGP>
2.496269983666666

> <ALOGPS_LOGS>
-4.88

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.983143000348482

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.490722758441542

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7104751090685655

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
146.5864

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.32e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

> <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       3.802   1.965   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.136   1.195   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.136  -0.345   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.469  -1.115   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.469  -2.655   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.803  -3.425   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.803  -4.965   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.049  -5.870   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.513  -5.394   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.658  -6.425   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.122  -5.949   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.267  -6.979   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      15.732  -6.503   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      16.876  -7.534   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.947  -8.486   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      15.091  -9.516   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.482  -8.962   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.338  -7.931   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.162 -10.468   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.697 -10.944   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.377 -12.450   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      13.306 -11.498   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      14.771 -11.022   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      12.986 -13.005   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.131 -14.035   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.810 -15.542   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.346 -16.017   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      12.026 -17.524   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      11.201 -14.987   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       9.737 -15.463   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.592 -14.432   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      11.522 -13.481   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.573  -7.335   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       7.033  -7.335   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.557  -5.870   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.092  -5.394   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.136  -3.425   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.802  -2.655   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.802  -1.115   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.468  -0.345   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   37                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   35                                                  
CONECT    8    7    9   33                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17   10                                                       
CONECT   19   17   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   24                                                       
CONECT   33    8   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34    7   36                                                  
CONECT   36   35                                                            
CONECT   37    5   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38    3   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₄O₁₀

Average Mass

554.5920 Da

Monoisotopic Mass

554.21520 Da

IUPAC Name

4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

Traditional Name

4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

CAS Registry Number

Not Available

SMILES

COC1=CC(CC2C(CC3=CC(OC)=C(O)C(=C3)C(CO)C(O)C3=CC=C(O)C(CO)=C3)COC2=O)=CC=C1O

InChI Identifier

InChI=1S/C30H34O10/c1-38-26-10-16(3-5-25(26)34)8-21-20(15-40-30(21)37)7-17-9-22(29(36)27(11-17)39-2)23(14-32)28(35)18-4-6-24(33)19(12-18)13-31/h3-6,9-12,20-21,23,28,31-36H,7-8,13-15H2,1-2H3

InChI Key

ZYOJOPBUBPCEAV-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
Arctium lappa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

Dibenzylbutyrolactone lignans

Alternative Parents

Substituents

Dibenzylbutyrolactone
Lignan lactone
Stilbene
Methoxyphenol
Phenoxy compound
Anisole
Benzyl alcohol
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Gamma butyrolactone
Tetrahydrofuran
Carboxylic acid ester
Lactone
Secondary alcohol
Ether
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Aromatic alcohol
Alcohol
Carbonyl group
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
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	2.37	ALOGPS
logP	2.5	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	9.49	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	146.59 m³·mol⁻¹	ChemAxon
Polarizability	57.52 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 4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one (NP0203487)

MOL for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

3D MOL for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

3D SDF for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

3D-SDF for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

PDB for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

3D PDB for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

SMILES for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

INCHI for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

Structure for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)

3D Structure for NP0203487 (4-[(3-{1,3-dihydroxy-1-[4-hydroxy-3-(hydroxymethyl)phenyl]propan-2-yl}-4-hydroxy-5-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one)