NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (NP0270207)

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Record Information

Version

2.0

Created at

2022-09-08 15:58:15 UTC

Updated at

2022-09-08 15:58:15 UTC

NP-MRD ID

NP0270207

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Description

1-O,2-O-Bis[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-6-O-[6-O-[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-beta-D-glucopyranose belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. [(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate is found in Brassica napus. Based on a literature review very few articles have been published on 1-O,2-O-Bis[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-6-O-[6-O-[(E)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]-beta-D-glucopyranose.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082217582D          

 68 72  0  0  1  0            999 V2000
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M  END

     RDKit          3D

120124  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309082217582D          

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M  END
> <DATABASE_ID>
NP0270207

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC(=O)\C=C\C4=CC(OC)=C(O)C(OC)=C4)[C@H](OC(=O)\C=C\C4=CC(OC)=C(O)C(OC)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)49)7-10-32(46)63-19-30-38(52)40(54)42(56)44(65-30)64-20-31-39(53)41(55)43(67-33(47)11-8-22-15-26(59-3)36(50)27(16-22)60-4)45(66-31)68-34(48)12-9-23-17-28(61-5)37(51)29(18-23)62-6/h7-18,30-31,38-45,49-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31-,38-,39-,40+,41+,42-,43-,44-,45+/m1/s1

> <INCHI_KEY>
MUQGQMDIXLYGAC-PKCRMPFFSA-N

> <FORMULA>
C45H52O23

> <MOLECULAR_WEIGHT>
960.888

> <EXACT_MASS>
960.289937934

> <JCHEM_ACCEPTOR_COUNT>
20

> <JCHEM_ATOM_COUNT>
120

> <JCHEM_AVERAGE_POLARIZABILITY>
94.54566483889735

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
2.541573731333332

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.288161578916602

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.811268599007942

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6490922610687697

> <JCHEM_POLAR_SURFACE_AREA>
323.81

> <JCHEM_REFRACTIVITY>
231.76170000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

> <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  C   UNK     0      -1.334 -20.790   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000 -21.560   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.000 -23.100   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334 -23.870   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334 -25.410   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667 -26.180   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667 -27.720   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001 -28.490   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335 -27.720   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.001 -30.030   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.335 -30.800   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335 -32.340   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668 -33.110   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.668 -34.650   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.002 -35.420   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.336 -34.650   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.669 -35.420   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.003 -34.650   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.337 -35.420   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      14.670 -34.650   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      14.670 -33.110   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      13.337 -32.340   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.004 -32.340   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.004 -30.800   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      17.338 -30.030   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.338 -28.490   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.672 -27.720   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      18.672 -26.180   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      20.005 -25.410   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      20.005 -28.490   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      21.339 -27.720   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      20.005 -30.030   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      21.339 -30.800   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      21.339 -32.340   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      18.672 -30.800   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.337 -36.960   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      14.670 -37.730   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      16.004 -36.960   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      16.004 -35.420   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      17.338 -37.730   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      18.672 -36.960   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      20.005 -37.730   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      21.339 -36.960   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      22.673 -37.730   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      24.006 -36.960   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      25.340 -37.730   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      22.673 -39.270   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      24.006 -40.040   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      21.339 -40.040   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      21.339 -41.580   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      20.005 -42.350   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      20.005 -39.270   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      12.003 -37.730   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      12.003 -39.270   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      10.669 -36.960   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       9.336 -37.730   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       5.335 -35.420   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       5.335 -36.960   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       4.001 -34.650   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       2.667 -35.420   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0       4.001 -33.110   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0       2.667 -32.340   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       0.000 -26.180   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      -1.334 -25.410   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      -2.667 -26.180   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      -4.001 -25.410   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      -1.334 -23.870   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      -2.667 -23.100   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   67                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   63                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   61                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   57                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   55                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   36                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   35                                                  
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   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   25                                                       
CONECT   36   19   37   53                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   52                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   47                                                  
CONECT   45   44   46                                                       
CONECT   46   45                                                            
CONECT   47   44   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   52                                                  
CONECT   50   49   51                                                       
CONECT   51   50                                                            
CONECT   52   49   42                                                       
CONECT   53   36   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   17   56                                                  
CONECT   56   55                                                            
CONECT   57   14   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   12   62                                                  
CONECT   62   61                                                            
CONECT   63    5   64                                                       
CONECT   64   63   65   67                                                  
CONECT   65   64   66                                                       
CONECT   66   65                                                            
CONECT   67   64    3   68                                                  
CONECT   68   67                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  144    0
END

View in JSmol

Synonyms

Value	Source
1-O,2-O-Bis[(e)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-6-O-[6-O-[(e)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-b-D-glucopyranosyl]-b-D-glucopyranose	Generator
1-O,2-O-Bis[(e)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-6-O-[6-O-[(e)-3-(3,5-dimethoxy-4-hydroxyphenyl)acryloyl]-β-D-glucopyranosyl]-β-D-glucopyranose	Generator

Chemical Formula

C₄₅H₅₂O₂₃

Average Mass

960.8880 Da

Monoisotopic Mass

960.28994 Da

IUPAC Name

[(2R,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis({[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC(=O)\C=C\C4=CC(OC)=C(O)C(OC)=C4)[C@H](OC(=O)\C=C\C4=CC(OC)=C(O)C(OC)=C4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O

InChI Identifier

InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)49)7-10-32(46)63-19-30-38(52)40(54)42(56)44(65-30)64-20-31-39(53)41(55)43(67-33(47)11-8-22-15-26(59-3)36(50)27(16-22)60-4)45(66-31)68-34(48)12-9-23-17-28(61-5)37(51)29(18-23)62-6/h7-18,30-31,38-45,49-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31-,38-,39-,40+,41+,42-,43-,44-,45+/m1/s1

InChI Key

MUQGQMDIXLYGAC-PKCRMPFFSA-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
Brassica napus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Hydroxycinnamic acid glycosides

Alternative Parents

Substituents

Hydroxycinnamic acid glycoside
O-cinnamoyl glycoside
Coumaric acid or derivatives
Cinnamic acid ester
Disaccharide
Glycosyl compound
O-glycosyl compound
M-dimethoxybenzene
Dimethoxybenzene
Methoxyphenol
Tricarboxylic acid or derivatives
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Styrene
Alkyl aryl ether
Fatty acid ester
Phenol
Oxane
Benzenoid
Monocyclic benzene moiety
Fatty acyl
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Acetal
Polyol
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Ether
Carbonyl group
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	2.54	ChemAxon
pKa (Strongest Acidic)	8.81	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	20	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	323.81 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	231.76 m³·mol⁻¹	ChemAxon
Polarizability	94.55 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

101743469

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (NP0270207)

MOL for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

3D MOL for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

3D SDF for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

3D-SDF for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

PDB for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

3D PDB for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

SMILES for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

INCHI for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

Structure for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)

3D Structure for NP0270207 ([(2r,3s,4s,5r,6r)-6-{[(2r,3s,4s,5r,6s)-3,4-dihydroxy-5,6-bis({[(2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy})oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate)