NP-MRD: Showing NP-Card for 1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid (NP0230648)

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Record Information

Version

2.0

Created at

2022-09-06 11:10:12 UTC

Updated at

2022-09-06 11:10:12 UTC

NP-MRD ID

NP0230648

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid

Description

1-[2-(Furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylic acid belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. 1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid is found in Tinospora cordifolia. 1-[2-(Furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004261512042D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004261512042D          

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    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 19 23  1  0  0  0  0
 14 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  5 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 29 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230648

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=C2C(CC(O)(C(O)=O)C(C)(CC(O)C3=COC=C3)C2CCC1)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O13/c1-25(8-15(28)12-6-7-37-11-12)14-5-3-4-13(22(32)36-2)18(14)16(9-26(25,35)24(33)34)38-23-21(31)20(30)19(29)17(10-27)39-23/h6-7,11,14-17,19-21,23,27-31,35H,3-5,8-10H2,1-2H3,(H,33,34)

> <INCHI_KEY>
QZKZABIXVBXRMH-UHFFFAOYSA-N

> <FORMULA>
C26H36O13

> <MOLECULAR_WEIGHT>
556.561

> <EXACT_MASS>
556.215591219

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
55.537560689829014

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

> <ALOGPS_LOGP>
-0.94

> <JCHEM_LOGP>
-1.0041159673333326

> <ALOGPS_LOGS>
-1.88

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.177888747166861

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.964491501546179

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8883144620760977

> <JCHEM_POLAR_SURFACE_AREA>
216.57999999999996

> <JCHEM_REFRACTIVITY>
129.59600000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.27e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.195  -3.757   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.185  -2.043   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.712  -0.595   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       9.175  -3.222   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.325  -4.260   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.345  -4.260   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.872  -5.707   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.388  -5.974   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.882  -6.887   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.254  -8.381   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.948  -9.197   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.768  -8.207   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.345  -6.779   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.335   1.540   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       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   27                                                  
CONECT    6    5    7   24                                                  
CONECT    7    6    8   28                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11   14                                             
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    9   15   16   24                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   23                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   19                                                       
CONECT   24   14    6   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26    5                                                       
CONECT   28    7   29                                                       
CONECT   29   28   30   38                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   29   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Value	Source
1-[2-(Furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylate	Generator

Chemical Formula

C₂₆H₃₆O₁₃

Average Mass

556.5610 Da

Monoisotopic Mass

556.21559 Da

IUPAC Name

1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

Traditional Name

1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

COC(=O)C1=C2C(CC(O)(C(O)=O)C(C)(CC(O)C3=COC=C3)C2CCC1)OC1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C26H36O13/c1-25(8-15(28)12-6-7-37-11-12)14-5-3-4-13(22(32)36-2)18(14)16(9-26(25,35)24(33)34)38-23-21(31)20(30)19(29)17(10-27)39-23/h6-7,11,14-17,19-21,23,27-31,35H,3-5,8-10H2,1-2H3,(H,33,34)

InChI Key

QZKZABIXVBXRMH-UHFFFAOYSA-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
Tinospora cordifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Sub Class

Cinnamic acids

Direct Parent

Cinnamic acids

Alternative Parents

Substituents

Cinnamic acid
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Carboxylic acid derivative
Carboxylic acid
Ether
Monocarboxylic acid or derivatives
Organic oxygen compound
Carbonyl group
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	-0.94	ALOGPS
logP	-1	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	3.96	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	216.58 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	129.6 m³·mol⁻¹	ChemAxon
Polarizability	55.54 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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid (NP0230648)

MOL for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

3D MOL for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

3D SDF for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

3D-SDF for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

PDB for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

3D PDB for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

SMILES for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

INCHI for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

Structure for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)

3D Structure for NP0230648 (1-[2-(furan-3-yl)-2-hydroxyethyl]-2-hydroxy-5-(methoxycarbonyl)-1-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylic acid)