NP-MRD: Showing NP-Card for (10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione (NP0183804)

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Record Information

Version

2.0

Created at

2022-09-03 22:46:27 UTC

Updated at

2022-09-03 22:46:27 UTC

NP-MRD ID

NP0183804

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione

Description

(10'R)-1,1',8,8'-Tetrahydroxy-10'-beta-D-xylopyranosyl-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. (10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione is found in Asphodelus ramosus. Based on a literature review very few articles have been published on (10'R)-1,1',8,8'-Tetrahydroxy-10'-beta-D-xylopyranosyl-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042200462D          

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M  END

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M  END


  Mrv1652309042200462D          

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   -0.7145   -3.7125    0.0000 C   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
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    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
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    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  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  1  0  0  0
  9 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 29 40  1  0  0  0  0
 40 41  2  0  0  0  0
 22 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 19 44  1  0  0  0  0
 44 45  1  0  0  0  0
  6 45  1  0  0  0  0
 45 46  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0183804

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)=C2C(=O)C3=C(O)C(=CC=C3[C@@H]([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C2=C1)C1=C(C)C=C(O)C2=C1C(=O)C1=CC=CC(O)=C1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C35H28O11/c1-12-8-17-23(35-34(45)31(42)21(39)11-46-35)14-6-7-16(29(40)26(14)32(43)25(17)19(37)9-12)22-13(2)10-20(38)27-28(22)30(41)15-4-3-5-18(36)24(15)33(27)44/h3-10,21,23,31,34-40,42,45H,11H2,1-2H3/t21-,23-,31+,34-,35+/m1/s1

> <INCHI_KEY>
HRQJSMLTAPMJAN-WZDVOZHHSA-N

> <FORMULA>
C35H28O11

> <MOLECULAR_WEIGHT>
624.598

> <EXACT_MASS>
624.163161722

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
63.53950699241393

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(10'R)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10-trione

> <JCHEM_LOGP>
6.125072191000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.010059538990456

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.517750672430496

> <JCHEM_PKA_STRONGEST_BASIC>
-3.522293933259104

> <JCHEM_POLAR_SURFACE_AREA>
202.04999999999998

> <JCHEM_REFRACTIVITY>
165.2881

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(10'R)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-10'H-[1,2'-bianthracene]-9,9',10-trione

> <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       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.667 -13.860   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.000 -12.320   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   45                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7    2                                                       
CONECT    9    7   10   19                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   10   18                                                  
CONECT   18   17                                                            
CONECT   19    9   20   44                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   42                                                  
CONECT   23   22   24   30                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   40                                                  
CONECT   30   29   23   31                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   33   40                                                  
CONECT   40   39   29   41                                                  
CONECT   41   40                                                            
CONECT   42   22   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   19   45                                                  
CONECT   45   44    6   46                                                  
CONECT   46   45                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  104    0
END

View in JSmol

Synonyms

Value	Source
(10'r)-1,1',8,8'-Tetrahydroxy-10'-b-D-xylopyranosyl-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione	Generator
(10'r)-1,1',8,8'-Tetrahydroxy-10'-β-D-xylopyranosyl-3,3'-dimethyl-4,7'-bianthracene-9,9',10(10'H)-trione	Generator

Chemical Formula

C₃₅H₂₈O₁₁

Average Mass

624.5980 Da

Monoisotopic Mass

624.16316 Da

IUPAC Name

(10'R)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-9H,9'H,10H,10'H-[1,2'-bianthracene]-9,9',10-trione

Traditional Name

(10'R)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-10'H-[1,2'-bianthracene]-9,9',10-trione

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C2C(=O)C3=C(O)C(=CC=C3[C@@H]([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C2=C1)C1=C(C)C=C(O)C2=C1C(=O)C1=CC=CC(O)=C1C2=O

InChI Identifier

InChI=1S/C35H28O11/c1-12-8-17-23(35-34(45)31(42)21(39)11-46-35)14-6-7-16(29(40)26(14)32(43)25(17)19(37)9-12)22-13(2)10-20(38)27-28(22)30(41)15-4-3-5-18(36)24(15)33(27)44/h3-10,21,23,31,34-40,42,45H,11H2,1-2H3/t21-,23-,31+,34-,35+/m1/s1

InChI Key

HRQJSMLTAPMJAN-WZDVOZHHSA-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
Asphodelus ramosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

9,10-anthraquinone
Anthraquinone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Oxane
Vinylogous acid
Ketone
Secondary alcohol
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
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
logP	6.13	ChemAxon
pKa (Strongest Acidic)	7.52	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	202.05 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	165.29 m³·mol⁻¹	ChemAxon
Polarizability	63.54 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

102153707

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione (NP0183804)

MOL for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

3D MOL for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

3D SDF for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

3D-SDF for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

PDB for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

3D PDB for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

SMILES for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

INCHI for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

Structure for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)

3D Structure for NP0183804 ((10'r)-1',4,5,8'-tetrahydroxy-2,6'-dimethyl-10'-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]-10'h-[1,2'-bianthracene]-9,9',10-trione)