NP-MRD: Showing NP-Card for 3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one (NP0277796)

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Record Information

Version

2.0

Created at

2022-09-09 02:35:50 UTC

Updated at

2022-09-09 02:35:50 UTC

NP-MRD ID

NP0277796

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one

Description

Pabularin A belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. 3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one is found in Prangos pabularia. Based on a literature review very few articles have been published on Pabularin A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092204352D          

 41 45  0  0  1  0            999 V2000
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   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


  Mrv1652309092204352D          

 41 45  0  0  1  0            999 V2000
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    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  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
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 24 37  1  0  0  0  0
 31 37  2  0  0  0  0
 21 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0277796

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(COC2=C3C=COC3=CC3=C2C=CC(=O)O3)C(C)(C)O)C(=O)C=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20?,22-,23+,26-,27+/m1/s1

> <INCHI_KEY>
ISXGHEKJMRQGFQ-CLASKDJUSA-N

> <FORMULA>
C28H30O13

> <MOLECULAR_WEIGHT>
574.535

> <EXACT_MASS>
574.168641026

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
56.007773619407956

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methyl-4H-pyran-4-one

> <JCHEM_LOGP>
0.5685232209999996

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.83517673658747

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.696057607441745

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8048971613066636

> <JCHEM_POLAR_SURFACE_AREA>
183.57999999999998

> <JCHEM_REFRACTIVITY>
140.78990000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-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       9.336  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      12.003  11.550   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      13.337  10.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.337   9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.799   2.016   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.705   0.770   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.799  -0.476   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.231   5.596   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.771   8.264   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       2.667   7.700   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    2    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15   12   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   10   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   38                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   37                                                  
CONECT   25   24   26   29                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   25   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   24   31                                                  
CONECT   38   21   39   40   41                                             
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   38                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₀O₁₃

Average Mass

574.5350 Da

Monoisotopic Mass

574.16864 Da

IUPAC Name

3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxo-7H-furo[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methyl-4H-pyran-4-one

Traditional Name

3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one

CAS Registry Number

Not Available

SMILES

CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(COC2=C3C=COC3=CC3=C2C=CC(=O)O3)C(C)(C)O)C(=O)C=CO1

InChI Identifier

InChI=1S/C28H30O13/c1-13-24(16(30)7-9-35-13)41-27-26(23(33)22(32)19(11-29)39-27)40-20(28(2,3)34)12-37-25-14-4-5-21(31)38-18(14)10-17-15(25)6-8-36-17/h4-10,19-20,22-23,26-27,29,32-34H,11-12H2,1-3H3/t19-,20?,22-,23+,26-,27+/m1/s1

InChI Key

ISXGHEKJMRQGFQ-CLASKDJUSA-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
Prangos pabularia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Furanocoumarins

Direct Parent

Psoralens

Alternative Parents

Substituents

Psoralen
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Benzofuran
Alkyl aryl ether
Pyranone
Monosaccharide
Oxane
Benzenoid
Pyran
Tertiary alcohol
Furan
Heteroaromatic compound
Secondary alcohol
Cyclic ketone
Lactone
Dialkyl ether
Ether
Organoheterocyclic compound
Oxacycle
Acetal
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Organic oxide
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	0.57	ChemAxon
pKa (Strongest Acidic)	12.7	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	183.58 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	140.79 m³·mol⁻¹	ChemAxon
Polarizability	56.01 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

C00037591

Chemspider ID

9299799

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11124670

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,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one (NP0277796)

MOL for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

3D MOL for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

3D SDF for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

3D-SDF for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

PDB for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

3D PDB for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

SMILES for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

INCHI for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

Structure for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)

3D Structure for NP0277796 (3-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-{[3-hydroxy-3-methyl-1-({7-oxofuro[3,2-g]chromen-4-yl}oxy)butan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-2-methylpyran-4-one)