NP-MRD: Showing NP-Card for (6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one (NP0229469)

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Record Information

Version

2.0

Created at

2022-09-06 09:32:10 UTC

Updated at

2022-09-06 09:32:10 UTC

NP-MRD ID

NP0229469

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

Description

(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]Tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on (6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]Tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062211322D          

 59 61  0  0  0  0            999 V2000
    2.6102  -11.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900  -10.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6410  -11.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0499  -10.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3233  -11.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6715  -10.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823  -10.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7424   -3.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  1  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
 10 11  1  0  0  0  0
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  8 16  1  0  0  0  0
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  6 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END

     RDKit          3D

124126  0  0  0  0  0  0  0  0999 V2000
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    2.7895   -0.6204   -1.2472 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0432   -0.2146   -2.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0519   -2.5549    0.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2952   -2.0949   -0.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8563   -1.1391    0.6453 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4357    0.0982    0.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9841   -1.2404   -0.1501 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -6.0337   -2.4009   -1.1641 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END


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M  END
> <DATABASE_ID>
NP0229469

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CC(O)C(C)C1OC(=O)\C=C/C=C\C=C/C(/C)=C\C(C)C(OC2OC(C)C(O)C(O)C2O)\C=C/C=C\C2=COC(=N2)C(C)C(O)CC(O)\C=C/C=C\C=C/C1C

> <INCHI_IDENTIFIER>
InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9-,11-8-,18-12-,19-13-,20-16-,21-14-,22-17-,23-15-,28-24-

> <INCHI_KEY>
UMUMBLZPRQHELQ-OPJLMDFISA-N

> <FORMULA>
C46H65NO12

> <MOLECULAR_WEIGHT>
824.021

> <EXACT_MASS>
823.450676537

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
124

> <JCHEM_AVERAGE_POLARIZABILITY>
88.71090240307588

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

> <JCHEM_LOGP>
4.2637910429999994

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.218977194699715

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.218275844070751

> <JCHEM_PKA_STRONGEST_BASIC>
0.12133533084507253

> <JCHEM_POLAR_SURFACE_AREA>
212.39999999999995

> <JCHEM_REFRACTIVITY>
234.64430000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,8Z,10Z,16Z,18Z,20Z,22Z,26Z,28Z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       4.872 -20.979   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.461 -19.495   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.943 -19.754   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.404 -19.702   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.197 -21.228   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.093 -19.341   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.603 -20.794   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.117 -21.079   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.120 -19.910   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -4.634 -20.195   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.637 -19.026   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.144 -21.648   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -6.657 -21.932   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -4.141 -22.816   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -4.651 -24.269   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.627 -22.532   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.624 -23.700   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.487 -18.687   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.721 -17.765   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.743 -16.613   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.513 -15.280   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.999 -13.818   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.471 -13.367   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -6.497 -11.827   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -5.041 -11.327   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -4.115 -12.557   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -4.615  -9.278   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.063  -8.753   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.890  -7.919   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -5.169  -7.060   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -2.907  -6.733   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.705  -5.770   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -2.542  -4.477   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.334  -5.069   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.150  -4.658   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.686  -4.554   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.212  -4.761   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.665  -5.272   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.986  -6.064   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.120  -7.106   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.271  -6.083   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.021  -8.355   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.354  -7.585   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      10.354  -6.045   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      11.688  -8.355   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      11.688  -9.895   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      13.022  -7.585   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      14.355  -8.355   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      15.689  -7.585   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      14.355  -9.895   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       9.652  -9.760   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       9.987 -11.263   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      11.517 -11.081   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      10.013 -12.802   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       9.729 -14.316   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       9.146 -15.741   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       8.287 -17.020   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       7.189 -18.100   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       5.896 -18.936   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   59                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   18                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   16                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    8   17                                                  
CONECT   17   16                                                            
CONECT   18    6   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25   22                                                       
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   51                                                  
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48                                                            
CONECT   51   42   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58    2                                                       
MASTER        0    0    0    0    0    0    0    0   59    0  122    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₆H₆₅NO₁₂

Average Mass

824.0210 Da

Monoisotopic Mass

823.45068 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(O)CC(O)C(C)C1OC(=O)\C=C/C=C\C=C/C(/C)=C\C(C)C(OC2OC(C)C(O)C(O)C2O)\C=C/C=C\C2=COC(=N2)C(C)C(O)CC(O)\C=C/C=C\C=C/C1C

InChI Identifier

InChI=1S/C46H65NO12/c1-28-18-12-8-11-15-23-40(52)59-44(32(5)37(50)25-31(4)48)29(2)19-13-9-10-14-21-36(49)26-38(51)33(6)45-47-35(27-56-45)20-16-17-22-39(30(3)24-28)58-46-43(55)42(54)41(53)34(7)57-46/h8-24,27,29-34,36-39,41-44,46,48-51,53-55H,25-26H2,1-7H3/b10-9-,11-8-,18-12-,19-13-,20-16-,21-14-,22-17-,23-15-,28-24-

InChI Key

UMUMBLZPRQHELQ-OPJLMDFISA-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 o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Oxane
Monosaccharide
Heteroaromatic compound
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Oxazole
Azole
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen 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
logP	4.26	ChemAxon
pKa (Strongest Acidic)	12.22	ChemAxon
pKa (Strongest Basic)	0.12	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.4 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	234.64 m³·mol⁻¹	ChemAxon
Polarizability	88.71 Å³	ChemAxon
Number of Rings	3	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

139585031

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one (NP0229469)

MOL for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D MOL for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D SDF for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D-SDF for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

PDB for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D PDB for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

SMILES for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

INCHI for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

Structure for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)

3D Structure for NP0229469 ((6z,8z,10z,16z,18z,20z,22z,26z,28z)-13-(3,5-dihydroxyhexan-2-yl)-3,5-dihydroxy-2,12,22,24-tetramethyl-25-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one)