NP-MRD: Showing NP-Card for (4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one (NP0199204)

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Record Information

Version

2.0

Created at

2022-09-04 17:48:13 UTC

Updated at

2022-09-04 17:48:13 UTC

NP-MRD ID

NP0199204

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one

Description

Penta-O-methylisocurculigine belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. (4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one is found in Molineria capitulata. Based on a literature review very few articles have been published on Penta-O-methylisocurculigine.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042219482D          

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 37 38  2  0  0  0  0
  3 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309042219482D          

 40 42  0  0  1  0            999 V2000
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    5.4434   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -6.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -6.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    0.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.3993    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  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 11 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  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  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
 27 36  1  0  0  0  0
  6 37  1  0  0  0  0
 37 38  2  0  0  0  0
  3 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0199204

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@H]([C@@H](CCC(=O)C1=CC=C(OC)C(OC)=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(OC)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C28H38O12/c1-34-18-9-6-15(12-21(18)36-3)17(30)8-11-20(39-28-26(33)25(32)24(31)23(14-29)40-28)27(38-5)16-7-10-19(35-2)22(13-16)37-4/h6-7,9-10,12-13,20,23-29,31-33H,8,11,14H2,1-5H3/t20-,23-,24-,25+,26-,27+,28-/m1/s1

> <INCHI_KEY>
XVECPILXJDKZJX-OKKVRJOVSA-N

> <FORMULA>
C28H38O12

> <MOLECULAR_WEIGHT>
566.6

> <EXACT_MASS>
566.236326664

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
58.62225936336904

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R,5S)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one

> <JCHEM_LOGP>
0.6348302706666684

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.194346788805333

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.209773595224805

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083554772747

> <JCHEM_POLAR_SURFACE_AREA>
162.6

> <JCHEM_REFRACTIVITY>
140.88000000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4R,5S)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       5.541   2.612   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.311   1.278   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.541  -0.055   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.311  -1.389   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.541  -2.723   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -2.723   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.231  -4.056   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.691  -4.056   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.541  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.311  -6.724   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.541  -8.057   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -8.057   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.231  -6.724   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.691  -6.724   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.921  -5.390   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -0.619  -5.390   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.921  -8.057   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.619  -8.057   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.691  -9.391   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       0.921 -10.725   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.231  -9.391   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.001 -10.725   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.851  -6.724   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.621  -5.390   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      10.161  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.621  -8.057   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.161  -8.057   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.931  -9.391   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.161 -10.725   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.931 -12.058   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      12.471 -12.058   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.621 -10.725   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       7.851 -12.058   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.311 -12.058   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.851  -9.391   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.231  -1.389   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.001  -0.055   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       3.231   1.278   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.001   2.612   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   38                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   37                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   13   23                                                  
CONECT   23   22                                                            
CONECT   24   11   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   36                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   27                                                       
CONECT   37    6   38                                                       
CONECT   38   37    3   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₈O₁₂

Average Mass

566.6000 Da

Monoisotopic Mass

566.23633 Da

IUPAC Name

(4R,5S)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one

Traditional Name

(4R,5S)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one

CAS Registry Number

Not Available

SMILES

CO[C@H]([C@@H](CCC(=O)C1=CC=C(OC)C(OC)=C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=C(OC)C(OC)=C1

InChI Identifier

InChI=1S/C28H38O12/c1-34-18-9-6-15(12-21(18)36-3)17(30)8-11-20(39-28-26(33)25(32)24(31)23(14-29)40-28)27(38-5)16-7-10-19(35-2)22(13-16)37-4/h6-7,9-10,12-13,20,23-29,31-33H,8,11,14H2,1-5H3/t20-,23-,24-,25+,26-,27+,28-/m1/s1

InChI Key

XVECPILXJDKZJX-OKKVRJOVSA-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
Molineria capitulata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl-phenylketone
Alkyl glycoside
Hexose monosaccharide
Butyrophenone
Glycosyl compound
O-glycosyl compound
Dimethoxybenzene
O-dimethoxybenzene
Benzylether
Phenylketone
Methoxybenzene
Aryl alkyl ketone
Aryl ketone
Phenoxy compound
Anisole
Phenol ether
Benzoyl
Alkyl aryl ether
Benzenoid
Oxane
Monocyclic benzene moiety
Monosaccharide
Secondary alcohol
Ketone
Acetal
Organoheterocyclic compound
Polyol
Oxacycle
Dialkyl ether
Ether
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organic oxide
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	0.63	ChemAxon
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	162.6 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	140.88 m³·mol⁻¹	ChemAxon
Polarizability	58.62 Å³	ChemAxon
Number of Rings	3	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

100964861

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one (NP0199204)

MOL for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

3D MOL for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

3D SDF for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

3D-SDF for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

PDB for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

3D PDB for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

SMILES for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

INCHI for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

Structure for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)

3D Structure for NP0199204 ((4r,5s)-1,5-bis(3,4-dimethoxyphenyl)-5-methoxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-1-one)