NP-MRD: Showing NP-Card for (2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one (NP0203412)

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Record Information

Version

2.0

Created at

2022-09-04 22:51:51 UTC

Updated at

2022-09-04 22:51:51 UTC

NP-MRD ID

NP0203412

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Description

Okanin 4-methyl ether 4'-primveroside belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Thus, okanin 4-methyl ether 4'-primveroside is considered to be a flavonoid. (2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one is found in Bidens campylotheca. Based on a literature review very few articles have been published on Okanin 4-methyl ether 4'-primveroside.

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv1652309052200512D          

 42 45  0  0  1  0            999 V2000
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  6 40  1  0  0  0  0
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  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END

  Mrv1652309052200512D          

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    5.0013  -18.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868  -17.3250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724  -17.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -16.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289  -17.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -16.0875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000  -16.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -15.2625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000  -14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  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  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  1  0  0  0
 18 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 16 34  1  0  0  0  0
 34 35  1  1  0  0  0
 14 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 11 38  1  0  0  0  0
 38 39  1  0  0  0  0
  6 40  1  0  0  0  0
 40 41  2  0  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0203412

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(\C=C\C(=O)C2=CC=C(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2O)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O15/c1-38-16-6-3-11(8-14(16)29)2-5-13(28)12-4-7-17(21(33)19(12)31)41-27-25(37)23(35)22(34)18(42-27)10-40-26-24(36)20(32)15(30)9-39-26/h2-8,15,18,20,22-27,29-37H,9-10H2,1H3/b5-2+/t15-,18-,20+,22-,23+,24-,25-,26+,27-/m1/s1

> <INCHI_KEY>
PGUVLBHFVSDWEY-GXRLHNQDSA-N

> <FORMULA>
C27H32O15

> <MOLECULAR_WEIGHT>
596.538

> <EXACT_MASS>
596.17412033

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
58.372388958693136

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-1-(2,3-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

> <JCHEM_LOGP>
-0.24017604033333292

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.826957814011838

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.325753542490285

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6486860135578283

> <JCHEM_POLAR_SURFACE_AREA>
245.28999999999996

> <JCHEM_REFRACTIVITY>
139.85900000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-1-(2,3-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.335 -13.860   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001 -14.630   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.001 -16.170   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667 -16.940   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667 -18.480   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001 -19.250   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001 -20.790   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667 -21.560   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667 -23.100   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.001 -23.870   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.334 -23.870   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334 -25.410   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000 -26.180   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334 -25.410   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       2.667 -26.180   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.667 -27.720   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.001 -28.490   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.001 -30.030   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335 -30.800   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.668 -30.030   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.002 -30.800   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336 -30.030   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.669 -30.800   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669 -32.340   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      12.003 -33.110   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.336 -33.110   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       9.336 -34.650   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.002 -32.340   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668 -33.110   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.667 -30.800   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.667 -32.340   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.334 -30.030   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       0.000 -30.800   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.334 -28.490   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.000 -27.720   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.334 -23.870   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.667 -23.100   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.000 -23.100   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       0.000 -21.560   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -6.668 -16.170   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   41                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   40                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   38                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   36                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   34                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   30                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   21   29                                                  
CONECT   29   28                                                            
CONECT   30   18   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   16   35                                                  
CONECT   35   34                                                            
CONECT   36   14   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   11   39                                                  
CONECT   39   38                                                            
CONECT   40    6   41                                                       
CONECT   41   40    3   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂O₁₅

Average Mass

596.5380 Da

Monoisotopic Mass

596.17412 Da

IUPAC Name

(2E)-1-(2,3-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Traditional Name

(2E)-1-(2,3-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(\C=C\C(=O)C2=CC=C(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2O)C=C1O

InChI Identifier

InChI=1S/C27H32O15/c1-38-16-6-3-11(8-14(16)29)2-5-13(28)12-4-7-17(21(33)19(12)31)41-27-25(37)23(35)22(34)18(42-27)10-40-26-24(36)20(32)15(30)9-39-26/h2-8,15,18,20,22-27,29-37H,9-10H2,1H3/b5-2+/t15-,18-,20+,22-,23+,24-,25-,26+,27-/m1/s1

InChI Key

PGUVLBHFVSDWEY-GXRLHNQDSA-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
Bidens campylotheca	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glycosides

Alternative Parents

Substituents

Flavonoid o-glycoside
2'-hydroxychalcone
Linear 1,3-diarylpropanoid
Cinnamylphenol
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Phenolic glycoside
Alkyl glycoside
Cinnamic acid or derivatives
Hydroxycinnamic acid or derivatives
Glycosyl compound
O-glycosyl compound
Disaccharide
Methoxyphenol
Benzoyl
Anisole
Methoxybenzene
Phenoxy compound
Aryl ketone
Phenol ether
Catechol
Styrene
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Oxane
Alpha,beta-unsaturated ketone
Acryloyl-group
Enone
Vinylogous acid
Secondary alcohol
Ketone
Polyol
Acetal
Oxacycle
Ether
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Alcohol
Aldehyde
Organooxygen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120171 )

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	-0.24	ChemAxon
pKa (Strongest Acidic)	7.33	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	245.29 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	139.86 m³·mol⁻¹	ChemAxon
Polarizability	58.37 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

C00007908

Chemspider ID

24845933

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

42607571

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one (NP0203412)

MOL for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

3D MOL for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

3D SDF for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

3D-SDF for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

PDB for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

3D PDB for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

SMILES for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

INCHI for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

Structure for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)

3D Structure for NP0203412 ((2e)-1-(2,3-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one)