NP-MRD: Showing NP-Card for (1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one (NP0194885)

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Record Information

Version

2.0

Created at

2022-09-04 12:38:26 UTC

Updated at

2022-09-04 12:38:26 UTC

NP-MRD ID

NP0194885

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one

Description

Not Available

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042214382D          

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M  END

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M  END


  Mrv1652309042214382D          

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    9.5137    9.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0704    7.1317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8935    7.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7073    6.3909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1672    5.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8841    6.3350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5210    5.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9195    5.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4425    5.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    4.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8595    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7197    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3566    1.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0381    1.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994    1.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741    4.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    3.6287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1175    3.6513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    2.9032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9030    2.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  1  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
  2 36  1  0  0  0  0
 10 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
  8 40  1  0  0  0  0
 40 41  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0194885

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1CCC\C=C/[C@@H]2O[C@H](C[C@@H](O)[C@H]2O)C\C=C/C=C\[C@@H](C\C=C/C=C\C(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C30H44O11/c1-19-11-5-2-9-15-23-26(34)22(32)17-21(39-23)14-8-3-6-12-20(13-7-4-10-16-25(33)38-19)40-30-29(37)28(36)27(35)24(18-31)41-30/h3-4,6-10,12,15-16,19-24,26-32,34-37H,2,5,11,13-14,17-18H2,1H3/b7-4-,8-3-,12-6-,15-9-,16-10-/t19-,20+,21+,22-,23+,24-,26-,27-,28+,29-,30-/m1/s1

> <INCHI_KEY>
UJGOPUMKVFREMX-SCFDVTBFSA-N

> <FORMULA>
C30H44O11

> <MOLECULAR_WEIGHT>
580.671

> <EXACT_MASS>
580.288362237

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
60.47368712994414

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one

> <JCHEM_LOGP>
1.1163272073333337

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.901535671212567

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.158304444988204

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98108368454716

> <JCHEM_POLAR_SURFACE_AREA>
175.36999999999998

> <JCHEM_REFRACTIVITY>
153.98870000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one

> <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      13.842   0.359   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.241   1.777   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.752   1.384   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.213   1.426   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.748   1.900   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.475   2.768   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.499   3.959   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.898   5.377   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.704   6.689   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       5.971   8.043   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.659   9.807   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.699  10.943   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.017  11.740   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.506  12.133   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.046  12.091   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.511  11.617   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      14.189  13.000   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      15.725  13.104   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      16.403  14.487   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      17.940  14.591   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      18.617  15.974   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      17.759  17.252   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      18.798  13.313   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      20.335  13.417   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      18.120  11.930   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      18.979  10.651   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      16.584  11.825   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      15.906  10.443   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      14.783  10.749   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.759   9.558   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.360   8.140   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.538   6.610   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.277   5.093   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.599   3.710   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      16.871   2.842   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      14.559   2.574   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       4.432   8.086   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.625   6.774   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.086   6.816   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.359   5.419   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.552   4.107   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   40                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   37                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   29                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   27                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   18   28                                                  
CONECT   28   27                                                            
CONECT   29   16   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34    2                                                       
CONECT   37   10   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38    8   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₄O₁₁

Average Mass

580.6710 Da

Monoisotopic Mass

580.28836 Da

IUPAC Name

(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihydroxy-7-methyl-15-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@@H]1CCC\C=C/[C@@H]2O[C@H](C[C@@H](O)[C@H]2O)C\C=C/C=C\[C@@H](C\C=C/C=C\C(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C30H44O11/c1-19-11-5-2-9-15-23-26(34)22(32)17-21(39-23)14-8-3-6-12-20(13-7-4-10-16-25(33)38-19)40-30-29(37)28(36)27(35)24(18-31)41-30/h3-4,6-10,12,15-16,19-24,26-32,34-37H,2,5,11,13-14,17-18H2,1H3/b7-4-,8-3-,12-6-,15-9-,16-10-/t19-,20+,21+,22-,23+,24-,26-,27-,28+,29-,30-/m1/s1

InChI Key

UJGOPUMKVFREMX-SCFDVTBFSA-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

Classification

Not classified

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	1.12	ChemAxon
pKa (Strongest Acidic)	12.16	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	175.37 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	153.99 m³·mol⁻¹	ChemAxon
Polarizability	60.47 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	No	ChemAxon

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one (NP0194885)

MOL for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

3D MOL for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

3D SDF for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

3D-SDF for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

PDB for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

3D PDB for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

SMILES for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

INCHI for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

Structure for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)

3D Structure for NP0194885 ((1s,2e,7r,10z,12e,15r,16e,18z,21s,23r,24r)-23,24-dihydroxy-7-methyl-15-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,25-dioxabicyclo[19.3.1]pentacosa-2,10,12,16,18-pentaen-9-one)