NP-MRD: Showing NP-Card for (2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one (NP0266759)

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Record Information

Version

2.0

Created at

2022-09-08 11:19:16 UTC

Updated at

2022-09-08 11:19:16 UTC

NP-MRD ID

NP0266759

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

Description

4'-(4-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyloxy)-2',3,3',4-tetrahydroxychalcone 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. (2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one is found in Abies pindrow. Based on a literature review very few articles have been published on 4'-(4-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyloxy)-2',3,3',4-tetrahydroxychalcone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082213192D          

 41 44  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309082213192D          

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    3.4888    3.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    4.3527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6078    3.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067    4.7652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8212    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6791    6.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  2  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
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 18 36  1  0  0  0  0
 36 37  1  1  0  0  0
 16 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 13 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266759

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC=C(C(=O)\C=C\C4=CC=C(O)C(O)=C4)C(O)=C3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O15/c27-8-16-20(34)22(36)26(39-16)41-24-17(9-28)40-25(23(37)21(24)35)38-15-6-3-11(18(32)19(15)33)12(29)4-1-10-2-5-13(30)14(31)7-10/h1-7,16-17,20-28,30-37H,8-9H2/b4-1+/t16-,17+,20-,21+,22+,23+,24+,25+,26-/m0/s1

> <INCHI_KEY>
SEQPKCVUFRCYSE-ORANGGOPSA-N

> <FORMULA>
C26H30O15

> <MOLECULAR_WEIGHT>
582.511

> <EXACT_MASS>
582.158470266

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
55.822269092290995

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-1-(4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

> <JCHEM_LOGP>
-0.3860700963333328

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.00933276493532

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.317999648891243

> <JCHEM_PKA_STRONGEST_BASIC>
-3.679266151211884

> <JCHEM_POLAR_SURFACE_AREA>
256.28999999999996

> <JCHEM_REFRACTIVITY>
135.37670000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-1-(4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  O   UNK     0      -6.868   6.585   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.868   8.125   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.201   8.895   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.201  10.435   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.535  11.205   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.869  10.435   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -12.202  11.205   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -12.202  12.745   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0     -13.536  13.515   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0     -10.869  13.515   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0     -10.869  15.055   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -9.535  12.745   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.534   8.895   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.200   8.125   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.867   8.895   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.867  10.435   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.533  11.205   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.199  10.435   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.134  11.205   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.468  10.435   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.802  11.205   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.136  10.435   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.468   8.895   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.802   8.125   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.802   6.585   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.556   5.680   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       3.032   4.215   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.127   2.969   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.595   3.130   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.572   4.215   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.477   2.969   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.048   5.680   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.512   6.156   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.134   8.125   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.134   6.585   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -0.199   8.895   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -1.533   8.125   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -4.200  11.205   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.200  12.745   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -5.534  10.435   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -6.868  11.205   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5                                                       
CONECT   13    2   14   40                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   38                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   36                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   34                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   25   33                                                  
CONECT   33   32                                                            
CONECT   34   23   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   18   37                                                  
CONECT   37   36                                                            
CONECT   38   16   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   13   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
4'-(4-O-a-L-Arabinofuranosyl-b-D-glucopyranosyloxy)-2',3,3',4-tetrahydroxychalcone	Generator
4'-(4-O-Α-L-arabinofuranosyl-β-D-glucopyranosyloxy)-2',3,3',4-tetrahydroxychalcone	Generator

Chemical Formula

C₂₆H₃₀O₁₅

Average Mass

582.5110 Da

Monoisotopic Mass

582.15847 Da

IUPAC Name

(2E)-1-(4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one

Traditional Name

CAS Registry Number

Not Available

SMILES

OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3=CC=C(C(=O)\C=C\C4=CC=C(O)C(O)=C4)C(O)=C3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C26H30O15/c27-8-16-20(34)22(36)26(39-16)41-24-17(9-28)40-25(23(37)21(24)35)38-15-6-3-11(18(32)19(15)33)12(29)4-1-10-2-5-13(30)14(31)7-10/h1-7,16-17,20-28,30-37H,8-9H2/b4-1+/t16-,17+,20-,21+,22+,23+,24+,25+,26-/m0/s1

InChI Key

SEQPKCVUFRCYSE-ORANGGOPSA-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
Abies pindrow	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
Phenolic glycoside
Fatty acyl glycoside of mono- or disaccharide
Linear 1,3-diarylpropanoid
Fatty acyl glycoside
Cinnamylphenol
Hydroxycinnamic acid or derivatives
Alkyl glycoside
Cinnamic acid or derivatives
O-glycosyl compound
Glycosyl compound
Disaccharide
Phenoxy compound
Phenol ether
Benzoyl
Styrene
Catechol
Aryl ketone
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Oxane
Fatty acyl
Benzenoid
Acryloyl-group
Vinylogous acid
Enone
Alpha,beta-unsaturated ketone
Oxolane
Secondary alcohol
Ketone
Acetal
Organoheterocyclic compound
Oxacycle
Aldehyde
Alcohol
Hydrocarbon derivative
Organic oxide
Primary alcohol
Organic oxygen compound
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	-0.39	ChemAxon
pKa (Strongest Acidic)	7.32	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	256.29 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	135.38 m³·mol⁻¹	ChemAxon
Polarizability	55.82 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

101424115

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-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one (NP0266759)

MOL for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

3D MOL for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

3D SDF for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

3D-SDF for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

PDB for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

3D PDB for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

SMILES for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

INCHI for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

Structure for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)

3D Structure for NP0266759 ((2e)-1-(4-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one)