NP-MRD: Showing NP-Card for 5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one (NP0263452)

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Record Information

Version

2.0

Created at

2022-09-08 06:38:20 UTC

Updated at

2022-09-08 06:38:21 UTC

NP-MRD ID

NP0263452

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one

Description

Eranthin 4'-O-D-gentiobioside belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom). 5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one is found in Eranthis cilicica and Eranthis hyemalis. Based on a literature review very few articles have been published on Eranthin 4'-O-D-gentiobioside.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082208382D          

 42 46  0  0  1  0            999 V2000
   -2.3216    0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 41  1  0  0  0  0
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 10 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082208382D          

 42 46  0  0  1  0            999 V2000
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    2.7599    5.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    6.0155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0795    6.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1021    7.2721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079    6.4083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5305    7.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2109    5.9765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9364    6.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1883    5.1518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8912    4.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8236    2.2458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5491    2.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010    1.4211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5040    0.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756    1.0283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0530    0.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383   -0.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  1  0  0  0
 21 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 19 39  1  0  0  0  0
 39 40  1  1  0  0  0
 16 41  1  0  0  0  0
 41 42  1  0  0  0  0
 10 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0263452

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(=O)C2=C(O)C=C3OCC(CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CCC3=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

> <INCHI_KEY>
HJOAQEYWNOPRHE-LCENJUANSA-N

> <FORMULA>
C27H34O15

> <MOLECULAR_WEIGHT>
598.554

> <EXACT_MASS>
598.189770395

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
59.3928267632332

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-methyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4H,8H,11H-oxepino[2,3-h]chromen-4-one

> <JCHEM_LOGP>
-1.795752854666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.910534282920747

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.342302402461901

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083422322401

> <JCHEM_POLAR_SURFACE_AREA>
234.28999999999996

> <JCHEM_REFRACTIVITY>
139.90880000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-methyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8H,11H-oxepino[2,3-h]chromen-4-one

> <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      -4.334   1.583   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.600   0.229   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.407  -1.083   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.673  -2.437   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.479  -3.750   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -2.134  -2.479   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.401  -3.834   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.207  -5.146   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.139  -3.876   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.945  -2.564   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.212  -1.209   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.328  -1.167   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.061   0.187   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.813   0.208   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.297   0.622   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.545  -0.280   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.899   0.453   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.941   1.992   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.296   2.726   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.338   4.265   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.692   4.998   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.734   6.538   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.422   7.344   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.464   8.883   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.152   9.690   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.194  11.229   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.882  12.035   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       3.924  13.575   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.548  11.962   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.590  13.502   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.860  11.156   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.215  11.889   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       7.818   9.617   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       9.130   8.810   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       9.004   4.192   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      10.358   4.925   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       8.962   2.653   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      10.274   1.847   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.608   1.920   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       7.566   0.380   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       3.618  -1.819   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       2.461  -2.835   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   12                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   42                                                  
CONECT   11   10   12   14                                                  
CONECT   12   11    6   13                                                  
CONECT   13   12    2                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   41                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   39                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   35                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   33                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   24   34                                                  
CONECT   34   33                                                            
CONECT   35   21   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   19   40                                                  
CONECT   40   39                                                            
CONECT   41   16   42                                                       
CONECT   42   41   10                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₄O₁₅

Average Mass

598.5540 Da

Monoisotopic Mass

598.18977 Da

IUPAC Name

5-hydroxy-2-methyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4H,8H,11H-oxepino[2,3-h]chromen-4-one

Traditional Name

5-hydroxy-2-methyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8H,11H-oxepino[2,3-h]chromen-4-one

CAS Registry Number

Not Available

SMILES

CC1=CC(=O)C2=C(O)C=C3OCC(CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=CCC3=C2O1

InChI Identifier

InChI=1S/C27H34O15/c1-10-4-13(29)18-14(30)5-15-12(25(18)40-10)3-2-11(7-37-15)8-38-26-24(36)22(34)20(32)17(42-26)9-39-27-23(35)21(33)19(31)16(6-28)41-27/h2,4-5,16-17,19-24,26-28,30-36H,3,6-9H2,1H3/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1

InChI Key

HJOAQEYWNOPRHE-LCENJUANSA-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
Eranthis cilicica	LOTUS Database	35616633
Eranthis hyemalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzoxepines

Sub Class

Not Available

Direct Parent

Benzoxepines

Alternative Parents

Substituents

Benzoxepine
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Benzenoid
Oxane
Pyran
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Ether
Oxacycle
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Primary alcohol
Organic oxygen 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	-1.8	ChemAxon
pKa (Strongest Acidic)	7.34	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	234.29 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	139.91 m³·mol⁻¹	ChemAxon
Polarizability	59.39 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

10239001

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14034913

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one (NP0263452)

MOL for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

3D MOL for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

3D SDF for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

3D-SDF for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

PDB for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

3D PDB for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

SMILES for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

INCHI for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

Structure for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)

3D Structure for NP0263452 (5-hydroxy-2-methyl-9-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-8h,11h-oxepino[2,3-h]chromen-4-one)