NP-MRD: Showing NP-Card for 3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid (NP0191013)

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Record Information

Version

2.0

Created at

2022-09-04 07:48:41 UTC

Updated at

2022-09-04 07:48:41 UTC

NP-MRD ID

NP0191013

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid

Description

Trilobatin A 1''-methyl ester belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. 3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid is found in Bazzania trilobata. Based on a literature review very few articles have been published on Trilobatin A 1''-methyl ester.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042209482D          

 41 44  0  0  1  0            999 V2000
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309042209482D          

 41 44  0  0  1  0            999 V2000
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    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  1  0  0  0
  6 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
  5 33  1  0  0  0  0
 33 34  1  1  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
M  END
> <DATABASE_ID>
NP0191013

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@H]1[C@H](C2=CC=C(O)C(O)=C2)C2=CC(O)=C(O)C=C2C=C1C(=O)O[C@H]1[C@H](CC(O)C(O)=O)OC[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O14/c1-39-27(38)22-13(26(37)41-24-20(8-18(32)25(35)36)40-9-19(33)23(24)34)4-11-6-16(30)17(31)7-12(11)21(22)10-2-3-14(28)15(29)5-10/h2-7,18-24,28-34H,8-9H2,1H3,(H,35,36)/t18?,19-,20-,21+,22+,23-,24-/m0/s1

> <INCHI_KEY>
XFTWUVLRSOHQOH-OTDQYAMSSA-N

> <FORMULA>
C27H28O14

> <MOLECULAR_WEIGHT>
576.507

> <EXACT_MASS>
576.147905582

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
55.85812503189127

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(2S,3R,4S,5S)-3-[(3S,4R)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid

> <JCHEM_LOGP>
0.2359211043333336

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.891415529102899

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.382899022185802

> <JCHEM_PKA_STRONGEST_BASIC>
-3.522969453050047

> <JCHEM_POLAR_SURFACE_AREA>
240.73999999999995

> <JCHEM_REFRACTIVITY>
136.3288

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-[(2S,3R,4S,5S)-3-[(3S,4R)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid

> <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      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   33                                                  
CONECT    6    5    7   24                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   22                                                  
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   11   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   10   23                                                  
CONECT   23   22                                                            
CONECT   24    6   25                                                       
CONECT   25   24   26   32                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   25   33                                                  
CONECT   33   32    5   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                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₂₈O₁₄

Average Mass

576.5070 Da

Monoisotopic Mass

576.14791 Da

IUPAC Name

3-[(2S,3R,4S,5S)-3-[(3S,4R)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid

Traditional Name

3-[(2S,3R,4S,5S)-3-[(3S,4R)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid

CAS Registry Number

Not Available

SMILES

COC(=O)[C@H]1[C@H](C2=CC=C(O)C(O)=C2)C2=CC(O)=C(O)C=C2C=C1C(=O)O[C@H]1[C@H](CC(O)C(O)=O)OC[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C27H28O14/c1-39-27(38)22-13(26(37)41-24-20(8-18(32)25(35)36)40-9-19(33)23(24)34)4-11-6-16(30)17(31)7-12(11)21(22)10-2-3-14(28)15(29)5-10/h2-7,18-24,28-34H,8-9H2,1H3,(H,35,36)/t18?,19-,20-,21+,22+,23-,24-/m0/s1

InChI Key

XFTWUVLRSOHQOH-OTDQYAMSSA-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
Bazzania trilobata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Aryltetralin lignans

Sub Class

Not Available

Direct Parent

Aryltetralin lignans

Alternative Parents

Substituents

1-aryltetralin lignan
2-naphthalenecarboxylic acid or derivatives
2-naphthalenecarboxylic acid
2-naphthol
Naphthalene
Tricarboxylic acid or derivatives
Catechol
Phenol
1-hydroxy-4-unsubstituted benzenoid
Sugar acid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Hydroxy acid
Monosaccharide
Benzenoid
Oxane
Alpha-hydroxy acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
1,2-diol
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Carbonyl group
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	0.24	ChemAxon
pKa (Strongest Acidic)	3.38	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	240.74 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	136.33 m³·mol⁻¹	ChemAxon
Polarizability	55.86 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

101421587

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid (NP0191013)

MOL for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

3D MOL for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

3D SDF for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

3D-SDF for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

PDB for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

3D PDB for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

SMILES for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

INCHI for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

Structure for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)

3D Structure for NP0191013 (3-[(2s,3r,4s,5s)-3-[(3s,4r)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carbonyloxy]-4,5-dihydroxyoxan-2-yl]-2-hydroxypropanoic acid)