NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate (NP0215369)

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Record Information

Version

2.0

Created at

2022-09-05 14:58:14 UTC

Updated at

2022-09-05 14:58:14 UTC

NP-MRD ID

NP0215369

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate

Description

[(2R,3S,4S,5R,6R)-6-{[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydro-1H-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. [(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate is found in Aster auriculatus. Based on a literature review very few articles have been published on [(2R,3S,4S,5R,6R)-6-{[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydro-1H-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052216582D          

 32 35  0  0  1  0            999 V2000
    1.8651    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967    1.2753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6417    1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188    2.6055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7508    2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278    3.7227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8599    4.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369    4.8399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9689    5.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8460    5.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2728    4.2371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1499    5.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408    3.9357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6858    4.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    3.1199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9317    2.8185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803    0.4710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9527    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157   -0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5607   -1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6659   -0.1740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8409   -0.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3864   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.6430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9461   -1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265    0.4710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  6  5  1  6  0  0  0
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  8  9  1  6  0  0  0
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 32 31  1  1  0  0  0
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 26 32  1  0  0  0  0
M  END

     RDKit          3D

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    3.9866   -1.8482    0.0264 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.0462   -1.2093    2.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3263   -1.0150   -0.0273 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2122   -2.1157    0.8933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5554   -3.2387    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0269   -1.7765    2.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770   -2.1406    3.2586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -0.8775    1.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262   -0.1975    0.4324 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4324   -0.0243   -0.7503 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8633   -0.0843   -0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5400   -1.4395   -1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521   -4.0154    1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235   -3.3925   -0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0596   -1.4272    1.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3374   -0.1789    2.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309052216582D          

 32 35  0  0  1  0            999 V2000
    1.8651    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967    1.2753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6417    1.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5188    2.6055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7508    2.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5607   -1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6659   -0.1740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.6763   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912   -0.6430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9461   -1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3265    0.4710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0215369

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1C[C@@H]2[C@@H]([C@H]3CC(=O)C(=C)[C@@H]3[C@H](CC2=C)O[C@@H]2O[C@H](COC=O)[C@@H](O)[C@H](O)[C@H]2O)C1=C

> <INCHI_IDENTIFIER>
InChI=1S/C23H30O9/c1-9-4-16(31-23-22(29)21(28)20(27)17(32-23)7-30-8-24)19-11(3)15(26)6-13(19)18-10(2)14(25)5-12(9)18/h8,12-14,16-23,25,27-29H,1-7H2/t12-,13+,14-,16-,17+,18-,19-,20+,21-,22+,23+/m0/s1

> <INCHI_KEY>
LVATWLPNXMJRMG-ORMLWZERSA-N

> <FORMULA>
C23H30O9

> <MOLECULAR_WEIGHT>
450.484

> <EXACT_MASS>
450.188982546

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
44.97577962686206

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydro-1H-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate

> <JCHEM_LOGP>
-0.5454057476666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.214806303336498

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.212139346774043

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4340420269895358

> <JCHEM_POLAR_SURFACE_AREA>
142.75

> <JCHEM_REFRACTIVITY>
109.85279999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6R)-6-{[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1H-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       3.482   3.341   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.686   2.381   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.073   3.049   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.461   2.381   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.665   3.341   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.435   4.864   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.001   5.426   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.772   6.949   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.338   7.512   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.109   9.034   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.675   9.597   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.446  11.120   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       7.976   7.909   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       7.746   9.432   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.410   7.347   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.614   8.307   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.639   5.824   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.073   5.261   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.803   0.879   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.245   0.338   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.530   1.186   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.176  -1.200   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.380  -2.161   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.691  -1.610   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.843  -0.325   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.303  -0.325   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.455  -1.610   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.996  -3.052   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.970  -1.200   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.766  -2.161   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.901   0.338   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.343   0.879   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   32                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   19                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    8   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    6   18                                                  
CONECT   18   17                                                            
CONECT   19    4   20   25                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   19   26                                                  
CONECT   26   25   27   32                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31    2   26                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

View in JSmol

Synonyms

Value	Source
[(2R,3S,4S,5R,6R)-6-{[(3ar,4S,6ar,8S,9ar,9BR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-dodecahydro-1H-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formic acid	Generator

Chemical Formula

C₂₃H₃₀O₉

Average Mass

450.4840 Da

Monoisotopic Mass

450.18898 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

O[C@H]1C[C@@H]2[C@@H]([C@H]3CC(=O)C(=C)[C@@H]3[C@H](CC2=C)O[C@@H]2O[C@H](COC=O)[C@@H](O)[C@H](O)[C@H]2O)C1=C

InChI Identifier

InChI=1S/C23H30O9/c1-9-4-16(31-23-22(29)21(28)20(27)17(32-23)7-30-8-24)19-11(3)15(26)6-13(19)18-10(2)14(25)5-12(9)18/h8,12-14,16-23,25,27-29H,1-7H2/t12-,13+,14-,16-,17+,18-,19-,20+,21-,22+,23+/m0/s1

InChI Key

LVATWLPNXMJRMG-ORMLWZERSA-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
Aster auriculatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Guaiane sesquiterpenoid
Sesquiterpenoid
Glycosyl compound
O-glycosyl compound
Oxane
Monosaccharide
Cyclic alcohol
Cyclic ketone
Carboxylic acid ester
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Polyol
Monocarboxylic acid or derivatives
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-0.55	ChemAxon
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Hydrogen Acceptor Count	8	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

163092130

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate (NP0215369)

MOL for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

3D MOL for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

3D SDF for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

3D-SDF for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

PDB for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

3D PDB for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

SMILES for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

INCHI for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

Structure for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)

3D Structure for NP0215369 ([(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-8-hydroxy-3,6,9-trimethylidene-2-oxo-octahydro-1h-cyclopenta[e]azulen-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl formate)