NP-MRD: Showing NP-Card for 3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione (NP0240860)

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Record Information

Version

2.0

Created at

2022-09-07 00:46:44 UTC

Updated at

2022-09-07 00:46:44 UTC

NP-MRD ID

NP0240860

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

Description

3,4A,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione belongs to the class of organic compounds known as anthraquinone glycosides. These are organic compounds containing an anthraquinone moiety glycosidically bound to a carbohydrate moiety. Based on a literature review very few articles have been published on 3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072202462D          

 68 76  0  0  0  0            999 V2000
   11.7863   -7.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5163   -4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9762   -5.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6259   -5.6680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2462   -3.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4066   -5.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4066   -7.8507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  7  8  1  0  0  0  0
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  2 67  1  0  0  0  0
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M  END

     RDKit          3D

134142  0  0  0  0  0  0  0  0999 V2000
    4.1607   -1.5587    1.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309072202462D          

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M  END
> <DATABASE_ID>
NP0240860

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(CCC1O)OC1CC(OC2CCC(OC3CC(OC4CCC(OC56C(=O)CC(C)(O)CC5(O)C=CC5=C6C(=O)C6=CC=CC(O)=C6C5=O)OC4C)OC(C)C3O)OC2C)OC(C)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C49H66O19/c1-22-29(50)10-13-36(59-22)66-33-18-39(62-25(4)43(33)53)64-31-11-14-37(60-23(31)2)67-34-19-40(63-26(5)44(34)54)65-32-12-15-38(61-24(32)3)68-49-35(52)20-47(6,57)21-48(49,58)17-16-28-42(49)46(56)27-8-7-9-30(51)41(27)45(28)55/h7-9,16-17,22-26,29,31-34,36-40,43-44,50-51,53-54,57-58H,10-15,18-21H2,1-6H3

> <INCHI_KEY>
SEGRBHINVDUFID-UHFFFAOYSA-N

> <FORMULA>
C49H66O19

> <MOLECULAR_WEIGHT>
959.048

> <EXACT_MASS>
958.419829905

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
134

> <JCHEM_AVERAGE_POLARIZABILITY>
99.08669368111956

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione

> <JCHEM_LOGP>
3.163124297333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.57330278528212

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.214935070643788

> <JCHEM_PKA_STRONGEST_BASIC>
-2.904569079875537

> <JCHEM_POLAR_SURFACE_AREA>
264.88999999999993

> <JCHEM_REFRACTIVITY>
235.702

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      22.001 -14.073   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.009 -12.909   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      22.505 -11.453   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      23.513 -10.289   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      23.009  -8.834   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      21.497  -8.543   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      20.489  -9.707   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.977  -9.416   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      17.968 -10.580   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.456 -10.289   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.448 -11.453   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.936 -11.162   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.432  -9.707   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      11.919  -9.416   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      11.415  -7.961   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.903  -7.670   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.399  -6.215   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.887  -5.924   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.383  -4.469   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.870  -4.178   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.366  -2.722   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.375  -1.558   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.870  -0.103   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.879   1.061   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.383  -0.394   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       7.251  -1.929   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       8.895  -0.685   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.903   0.479   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.874  -0.716   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      11.249   1.228   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       9.399   1.934   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.887   2.225   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.895   3.389   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       7.383   3.680   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.870   3.971   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.862   2.807   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.366   1.352   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.358   0.188   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.862  -1.267   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.846   0.479   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.838  -0.685   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.326  -0.394   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.179   1.061   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.830   2.225   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       0.326   3.680   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       2.342   1.934   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       3.350   3.098   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       2.846   4.553   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       7.887  -1.849   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       8.391  -3.304   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       9.903  -3.595   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      10.407  -5.051   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      11.919  -5.342   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      12.928  -4.178   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      12.424  -6.797   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      13.936  -7.088   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      14.440  -8.543   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      15.952  -8.834   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      16.960  -7.670   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0      18.473  -7.961   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0      19.481  -6.797   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      18.977  -5.342   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      20.993  -7.088   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      22.001  -5.924   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0      25.026 -10.580   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      25.530 -12.035   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      24.522 -13.200   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      25.026 -14.655   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   67                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   65                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   63                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   60                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   58                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   57                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   55                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   52                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   50                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   49                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   32   37                                             
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32                                                       
CONECT   32   31   24   33   34                                             
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   47                                                  
CONECT   37   36   24   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   46                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   40   47                                                  
CONECT   47   46   36   48                                                  
CONECT   48   47                                                            
CONECT   49   22   50                                                       
CONECT   50   49   19   51                                                  
CONECT   51   50                                                            
CONECT   52   17   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   15   56                                                  
CONECT   56   55                                                            
CONECT   57   13   58                                                       
CONECT   58   57   10   59                                                  
CONECT   59   58                                                            
CONECT   60    8   61                                                       
CONECT   61   60   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61    6   64                                                  
CONECT   64   63                                                            
CONECT   65    4   66                                                       
CONECT   66   65   67                                                       
CONECT   67   66    2   68                                                  
CONECT   68   67                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  152    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₉H₆₆O₁₉

Average Mass

959.0480 Da

Monoisotopic Mass

958.41983 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1OC(CCC1O)OC1CC(OC2CCC(OC3CC(OC4CCC(OC56C(=O)CC(C)(O)CC5(O)C=CC5=C6C(=O)C6=CC=CC(O)=C6C5=O)OC4C)OC(C)C3O)OC2C)OC(C)C1O

InChI Identifier

InChI=1S/C49H66O19/c1-22-29(50)10-13-36(59-22)66-33-18-39(62-25(4)43(33)53)64-31-11-14-37(60-23(31)2)67-34-19-40(63-26(5)44(34)54)65-32-12-15-38(61-24(32)3)68-49-35(52)20-47(6,57)21-48(49,58)17-16-28-42(49)46(56)27-8-7-9-30(51)41(27)45(28)55/h7-9,16-17,22-26,29,31-34,36-40,43-44,50-51,53-54,57-58H,10-15,18-21H2,1-6H3

InChI Key

SEGRBHINVDUFID-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthraquinone glycosides. These are organic compounds containing an anthraquinone moiety glycosidically bound to a carbohydrate moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Anthraquinone glycosides

Alternative Parents

Substituents

Anthraquinone glycoside
Angucycline core
Hydroxyanthraquinone
O-glycosyl compound
Glycosyl compound
Disaccharide
Naphthalene
Aryl ketone
Quinone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Oxane
Vinylogous acid
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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

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

163061707

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione (NP0240860)

MOL for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D MOL for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D SDF for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D-SDF for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

PDB for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D PDB for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

SMILES for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

INCHI for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

Structure for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)

3D Structure for NP0240860 (3,4a,8-trihydroxy-12b-({5-[(5-hydroxy-4-{[5-({5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-3-methyl-2,4-dihydrotetraphene-1,7,12-trione)