NP-MRD: Showing NP-Card for 12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione (NP0155814)

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Record Information

Version

2.0

Created at

2022-09-02 12:56:31 UTC

Updated at

2022-09-02 12:56:31 UTC

NP-MRD ID

NP0155814

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione

Description

12-Hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]Docosa-1(21),10-diene-14,17-dione belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. 12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione is found in Vincetoxicum paniculatum and Vincetoxicum pycnostelma. Based on a literature review very few articles have been published on 12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]Docosa-1(21),10-diene-14,17-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022214562D          

 57 64  0  0  0  0            999 V2000
    4.9212   -4.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0070   -5.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3400   -3.4435    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  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  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
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  3 56  1  0  0  0  0
 56 57  1  0  0  0  0
M  END

     RDKit          3D

117124  0  0  0  0  0  0  0  0999 V2000
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M  END


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M  END
> <DATABASE_ID>
NP0155814

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC(OC2C(O)CC(OC3C(C)OC(CC3OC)OC3CCC4(C)C5CCC6=COC7(C)OC(=O)C(OC(=O)C5C(O)C=C4C3)C67)OC2C)OC(C)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C41H60O16/c1-18-34(44)27(47-6)15-31(50-18)54-35-19(2)51-29(14-26(35)43)55-36-20(3)52-30(16-28(36)48-7)53-23-10-11-40(4)22(12-23)13-25(42)32-24(40)9-8-21-17-49-41(5)33(21)37(39(46)57-41)56-38(32)45/h13,17-20,23-37,42-44H,8-12,14-16H2,1-7H3

> <INCHI_KEY>
YJPCNVBYONYHPR-UHFFFAOYSA-N

> <FORMULA>
C41H60O16

> <MOLECULAR_WEIGHT>
808.915

> <EXACT_MASS>
808.388135852

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
117

> <JCHEM_AVERAGE_POLARIZABILITY>
86.28357855689246

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0^{4,13}.0^{5,10}.0^{19,22}]docosa-1(21),10-diene-14,17-dione

> <ALOGPS_LOGP>
1.88

> <JCHEM_LOGP>
2.72556545633333

> <ALOGPS_LOGS>
-3.86

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.86758035697233

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.112394647143265

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1032501693311847

> <JCHEM_POLAR_SURFACE_AREA>
196.35999999999996

> <JCHEM_REFRACTIVITY>
194.94500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0^{4,13}.0^{5,10}.0^{19,22}]docosa-1(21),10-diene-14,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       9.186  -8.769   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.715  -8.584   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.640  -9.816   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.169  -9.631   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.093 -10.862   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      15.622 -10.677   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      16.226  -9.261   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.755  -9.076   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      18.680 -10.307   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      18.359  -7.659   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.435  -6.428   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      18.039  -5.011   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      17.114  -3.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.585  -3.965   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.981  -5.381   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.661  -2.733   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      15.265  -1.317   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      14.340  -0.085   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      12.811  -0.270   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.887   0.961   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.358   0.776   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.754  -0.640   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.829   0.591   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.678  -1.872   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.074  -3.288   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.545  -3.473   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.941  -4.890   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.621  -2.242   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.247  -2.939   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.432  -4.467   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.747  -2.589   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.823  -1.358   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.203  -1.640   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       1.538  -3.028   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.459  -0.291   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.511   0.833   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.117   1.486   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.702   2.361   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.214   2.652   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.958   1.304   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.487   1.489   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.777   0.648   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.225  -0.825   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.906   0.180   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.207  -1.687   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      16.794  -1.132   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      17.718  -2.363   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      19.247  -2.178   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      20.172  -3.410   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      15.906  -6.613   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      15.302  -8.029   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      13.773  -8.214   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      13.489 -12.279   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      11.960 -12.464   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      11.356 -13.880   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      11.035 -11.232   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       9.507 -11.417   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   56                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   53                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   51                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   50                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   47                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   46                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   45                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   43                                             
CONECT   23   22                                                            
CONECT   24   22   25   45                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   43                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   44                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36                                                       
CONECT   36   35   37   38   44                                             
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   44                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   28   22                                                  
CONECT   44   40   32   36                                                  
CONECT   45   24   19                                                       
CONECT   46   17   47                                                       
CONECT   47   46   13   48                                                  
CONECT   48   47   49                                                       
CONECT   49   48                                                            
CONECT   50   11   51                                                       
CONECT   51   50    7   52                                                  
CONECT   52   51                                                            
CONECT   53    5   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54    3   57                                                  
CONECT   57   56                                                            
MASTER        0    0    0    0    0    0    0    0   57    0  128    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₆₀O₁₆

Average Mass

808.9150 Da

Monoisotopic Mass

808.38814 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1CC(OC2C(O)CC(OC3C(C)OC(CC3OC)OC3CCC4(C)C5CCC6=COC7(C)OC(=O)C(OC(=O)C5C(O)C=C4C3)C67)OC2C)OC(C)C1O

InChI Identifier

InChI=1S/C41H60O16/c1-18-34(44)27(47-6)15-31(50-18)54-35-19(2)51-29(14-26(35)43)55-36-20(3)52-30(16-28(36)48-7)53-23-10-11-40(4)22(12-23)13-25(42)32-24(40)9-8-21-17-49-41(5)33(21)37(39(46)57-41)56-38(32)45/h13,17-20,23-37,42-44H,8-12,14-16H2,1-7H3

InChI Key

YJPCNVBYONYHPR-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

Species Name	Source	Reference
Vincetoxicum paniculatum	LOTUS Database	35616633
Vincetoxicum pycnostelma	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Glycosyl compound
O-glycosyl compound
Furofuran
Ketal
Dicarboxylic acid or derivatives
Gamma butyrolactone
Oxane
Dihydrofuran
Tetrahydrofuran
Lactone
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Ether
Acetal
Dialkyl ether
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Carbonyl group
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	1.88	ALOGPS
logS	-3.9	ALOGPS

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

153441

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

176141

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione (NP0155814)

MOL for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

3D MOL for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

3D SDF for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

3D-SDF for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

PDB for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

3D PDB for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

SMILES for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

INCHI for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

Structure for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)

3D Structure for NP0155814 (12-hydroxy-8-{[5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.0⁴,¹³.0⁵,¹⁰.0¹⁹,²²]docosa-1(21),10-diene-14,17-dione)