NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (NP0202163)

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Record Information

Version

2.0

Created at

2022-09-04 21:20:11 UTC

Updated at

2022-09-04 21:20:11 UTC

NP-MRD ID

NP0202163

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Description

[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. [(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate is found in Polygala sibirica. Based on a literature review very few articles have been published on [(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042223202D          

 39 41  0  0  1  0            999 V2000
   -3.8542    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1091    7.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2329    5.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6809    5.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8739    5.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309042223202D          

 39 41  0  0  1  0            999 V2000
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   -2.9207    1.9866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2178    3.3843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0248    3.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5300    7.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2751    7.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8271    8.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5722    9.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4681    8.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2132    8.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7652    9.4168    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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  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  6  0  0  0
 16 15  1  1  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  1  0  0  0
 14 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 12 31  1  0  0  0  0
 31 32  1  6  0  0  0
  5 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0202163

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(\C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C24H34O15/c1-33-12-6-11(7-13(34-2)21(12)35-3)4-5-16(27)36-9-15-17(28)19(30)20(31)23(37-15)39-24(10-26)22(32)18(29)14(8-25)38-24/h4-7,14-15,17-20,22-23,25-26,28-32H,8-10H2,1-3H3/b5-4-/t14-,15-,17-,18-,19+,20-,22+,23-,24+/m1/s1

> <INCHI_KEY>
AOLXCIMAVBSZMY-YOQQELLVSA-N

> <FORMULA>
C24H34O15

> <MOLECULAR_WEIGHT>
562.521

> <EXACT_MASS>
562.189770395

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
54.88507569648509

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
-1.9679580426666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.395584027616426

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.84196414751296

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981433338188096

> <JCHEM_POLAR_SURFACE_AREA>
223.28999999999996

> <JCHEM_REFRACTIVITY>
127.73140000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

> <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      -7.194  15.609   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -7.670  14.145   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -9.177  13.824   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.653  12.360   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -11.159  12.040   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -11.635  10.575   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.604   9.431   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.098   9.751   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -8.622  11.215   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -8.068   8.606   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -6.561   8.926   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.531   7.782   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.024   8.102   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.994   6.958   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.488   7.278   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -0.457   6.134   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.573   7.278   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.080   6.958   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.703   5.228   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.227   3.764   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.132   2.518   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.506   1.111   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.313   3.764   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.218   2.518   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       0.789   5.228   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.253   5.704   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -3.470   5.493   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.439   4.349   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.976   5.173   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -5.452   3.708   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -6.007   6.317   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -7.513   5.997   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0     -12.189  13.184   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -11.714  14.649   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -12.744  15.793   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0     -12.268  17.258   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.207  14.969   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -9.731  16.434   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0     -10.762  17.578   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   33                                                  
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   31                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   27                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19   25                                             
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   16   26                                                  
CONECT   26   25                                                            
CONECT   27   14   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   12   32                                                  
CONECT   32   31                                                            
CONECT   33    5   34                                                       
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34    3   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

View in JSmol

Synonyms

Value	Source
[(2R,3S,4S,5R,6R)-6-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₂₄H₃₄O₁₅

Average Mass

562.5210 Da

Monoisotopic Mass

562.18977 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC(\C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1OC

InChI Identifier

InChI=1S/C24H34O15/c1-33-12-6-11(7-13(34-2)21(12)35-3)4-5-16(27)36-9-15-17(28)19(30)20(31)23(37-15)39-24(10-26)22(32)18(29)14(8-25)38-24/h4-7,14-15,17-20,22-23,25-26,28-32H,8-10H2,1-3H3/b5-4-/t14-,15-,17-,18-,19+,20-,22+,23-,24+/m1/s1

InChI Key

AOLXCIMAVBSZMY-YOQQELLVSA-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
Polygala sibirica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Hydroxycinnamic acids and derivatives

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Substituents

Cinnamic acid ester
Coumaric acid or derivatives
O-glycosyl compound
Glycosyl compound
Disaccharide
C-glycosyl compound
Phenol ether
Phenoxy compound
Styrene
Anisole
Methoxybenzene
Fatty acid ester
Ketal
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Fatty acyl
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Oxolane
Carboxylic acid ester
Secondary alcohol
Polyol
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Acetal
Ether
Monocarboxylic acid or derivatives
Carbonyl group
Organooxygen compound
Primary alcohol
Organic oxide
Hydrocarbon derivative
Alcohol
Organic oxygen 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

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

6326017

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-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate (NP0202163)

MOL for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D MOL for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D SDF for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D-SDF for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

PDB for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D PDB for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

SMILES for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

INCHI for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

Structure for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)

3D Structure for NP0202163 ([(2r,3s,4s,5r,6r)-6-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate)