NP-MRD: Showing NP-Card for (2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one (NP0284148)

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Record Information

Version

2.0

Created at

2022-09-09 11:43:31 UTC

Updated at

2022-09-09 11:43:31 UTC

NP-MRD ID

NP0284148

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one

Description

6-[(4-O-beta-D-Glucopyranosyl-alpha-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxybenzylidene)-7-methoxybenzofuran-3(2H)-one belongs to the class of organic compounds known as aurone o-glycosides. These are aurone flavonoids containing a carbohydrate moiety O-glycosidically bound to the aurone skeleton. Based on a literature review very few articles have been published on 6-[(4-O-beta-D-Glucopyranosyl-alpha-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxybenzylidene)-7-methoxybenzofuran-3(2H)-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092213432D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092213432D          

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    4.7079   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.0396    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
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  6  0  0  0
 10 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  1  0  0  0
  4 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
  3 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 34 41  1  0  0  0  0
 32 42  1  0  0  0  0
 29 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0284148

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=CC2=C1O\C(=C/C1=CC=C(O)C(O)=C1)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H32O15/c1-10-24(43-28-22(36)20(34)19(33)17(9-29)42-28)21(35)23(37)27(39-10)41-15-6-4-12-18(32)16(40-25(12)26(15)38-2)8-11-3-5-13(30)14(31)7-11/h3-8,10,17,19-24,27-31,33-37H,9H2,1-2H3/b16-8-/t10-,17+,19+,20-,21-,22+,23+,24-,27-,28-/m0/s1

> <INCHI_KEY>
BNZQYHOFJOTXQV-LGCDPPGWSA-N

> <FORMULA>
C28H32O15

> <MOLECULAR_WEIGHT>
608.549

> <EXACT_MASS>
608.17412033

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
60.43445723515147

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z)-6-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-2,3-dihydro-1-benzofuran-3-one

> <JCHEM_LOGP>
-0.8580866866666661

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.801019481114807

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.828601747949284

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652577543

> <JCHEM_POLAR_SURFACE_AREA>
234.28999999999996

> <JCHEM_REFRACTIVITY>
142.46620000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-6-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       4.787   4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.121   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.788   2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.122   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.455   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      12.789   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.123   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.789  -0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      14.123  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      14.123  -2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.789  -3.080   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      12.789  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.455  -5.390   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      11.455  -6.930   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.123  -5.390   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      14.123  -6.930   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      15.456  -4.620   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.790  -5.390   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      15.456  -3.080   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      16.790  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.455  -0.770   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      11.455  -2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.122  -0.000   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.788  -0.770   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.322   2.016   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.417   0.770   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.877   0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.107   2.104   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.433   2.104   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.203   3.437   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.433   4.771   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -2.203   6.105   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.107   4.771   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       0.877   6.105   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.877   3.437   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.322  -0.476   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.846  -1.941   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   30                                                  
CONECT    4    3    5   27                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   25                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   23                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   12   22                                                  
CONECT   22   21                                                            
CONECT   23   10   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    6   26                                                  
CONECT   26   25                                                            
CONECT   27    4   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   42                                                  
CONECT   30   29    3   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   42                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   41                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   34                                                       
CONECT   42   32   29   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Value	Source
6-[(4-O-b-D-Glucopyranosyl-a-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxybenzylidene)-7-methoxybenzofuran-3(2H)-one	Generator
6-[(4-O-Β-D-glucopyranosyl-α-L-rhamnopyranosyl)oxy]-2-(3,4-dihydroxybenzylidene)-7-methoxybenzofuran-3(2H)-one	Generator

Chemical Formula

C₂₈H₃₂O₁₅

Average Mass

608.5490 Da

Monoisotopic Mass

608.17412 Da

IUPAC Name

(2Z)-6-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-2,3-dihydro-1-benzofuran-3-one

Traditional Name

(2Z)-6-{[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one

CAS Registry Number

Not Available

SMILES

COC1=C(O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=CC2=C1O\C(=C/C1=CC=C(O)C(O)=C1)C2=O

InChI Identifier

InChI=1S/C28H32O15/c1-10-24(43-28-22(36)20(34)19(33)17(9-29)42-28)21(35)23(37)27(39-10)41-15-6-4-12-18(32)16(40-25(12)26(15)38-2)8-11-3-5-13(30)14(31)7-11/h3-8,10,17,19-24,27-31,33-37H,9H2,1-2H3/b16-8-/t10-,17+,19+,20-,21-,22+,23+,24-,27-,28-/m0/s1

InChI Key

BNZQYHOFJOTXQV-LGCDPPGWSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aurone o-glycosides. These are aurone flavonoids containing a carbohydrate moiety O-glycosidically bound to the aurone skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Aurone O-glycosides

Alternative Parents

Substituents

Aurone-6-o-glycoside
Aurone
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Phenolic glycoside
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzofuran
Coumaran
Anisole
Aryl ketone
Catechol
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Fatty acyl
Monocyclic benzene moiety
Benzenoid
Oxane
Secondary alcohol
Ketone
Ether
Organoheterocyclic compound
Acetal
Oxacycle
Polyol
Primary alcohol
Aldehyde
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
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	-0.86	ChemAxon
pKa (Strongest Acidic)	8.83	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	234.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	142.47 m³·mol⁻¹	ChemAxon
Polarizability	60.43 Å³	ChemAxon
Number of Rings	5	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

102147935

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one (NP0284148)

MOL for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

3D MOL for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

3D SDF for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

3D-SDF for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

PDB for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

3D PDB for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

SMILES for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

INCHI for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

Structure for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)

3D Structure for NP0284148 ((2z)-6-{[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one)