NP-MRD: Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0256004)

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Record Information

Version

2.0

Created at

2022-09-07 20:42:05 UTC

Updated at

2022-09-07 20:42:06 UTC

NP-MRD ID

NP0256004

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Description

Siegesbeckioside belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. (2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol is found in Sigesbeckia pubescens. Based on a literature review very few articles have been published on Siegesbeckioside.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072222422D          

 34 38  0  0  1  0            999 V2000
    3.8136   -1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -0.9782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8017   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031   -2.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864   -3.1570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4878   -3.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1711   -4.5740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6725   -5.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3559   -5.9909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531   -4.6806    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0364   -5.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -4.0254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0336   -4.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1637   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 14  1  0  0  0  0
 14 15  1  1  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 30 32  1  6  0  0  0
 32 33  1  0  0  0  0
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M  END

     RDKit          3D

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309072222422D          

 34 38  0  0  1  0            999 V2000
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  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  1  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  1  0  0  0
 24 29  1  0  0  0  0
 19 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  6  0  0  0
 32 33  1  0  0  0  0
 30 34  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0256004

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C26H44O8/c1-23(14-33-22-21(31)20(30)19(29)16(11-27)34-22)7-3-8-24(2)17(23)6-9-25-10-15(4-5-18(24)25)26(32,12-25)13-28/h15-22,27-32H,3-14H2,1-2H3/t15-,16-,17-,18+,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1

> <INCHI_KEY>
XOXFQAJZWFFRMA-JMTJIOAGSA-N

> <FORMULA>
C26H44O8

> <MOLECULAR_WEIGHT>
484.63

> <EXACT_MASS>
484.303618377

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
53.65346849298335

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(1S,4S,5S,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
0.5500599823333344

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.091549185168567

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.19663369071917

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083413061712

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
123.28269999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(1S,4S,5S,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       7.119  -2.655   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.821  -1.826   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.230  -3.248   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.166  -4.471   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.575  -5.893   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.511  -7.116   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.919  -8.538   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.855  -9.761   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.264 -11.183   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.392  -8.737   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       3.801 -10.159   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.456  -7.514   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.929  -7.713   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.048  -6.092   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.112  -4.869   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.863  -0.692   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.402   0.777   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.899   1.113   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.857  -0.022   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.408   1.452   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.318  -1.491   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.285  -2.656   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.774  -2.341   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.208  -0.872   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.322   0.124   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.752   0.996   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.296   2.224   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.874   1.924   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.328   0.347   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.466  -0.449   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -2.767   0.375   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -2.422  -1.656   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -1.853  -3.088   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.306  -1.583   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   16   21                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   14                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    5   15                                                  
CONECT   15   14                                                            
CONECT   16    2   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21   29                                             
CONECT   20   19                                                            
CONECT   21   19    2   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   29   34                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   30                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   24   19                                                  
CONECT   30   26   31   32   34                                             
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32                                                            
CONECT   34   30   24                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₄₄O₈

Average Mass

484.6300 Da

Monoisotopic Mass

484.30362 Da

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(1S,4S,5S,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2R,3R,4S,5S,6R)-2-{[(1S,4S,5S,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

C[C@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)CC[C@H]12

InChI Identifier

InChI=1S/C26H44O8/c1-23(14-33-22-21(31)20(30)19(29)16(11-27)34-22)7-3-8-24(2)17(23)6-9-25-10-15(4-5-18(24)25)26(32,12-25)13-28/h15-22,27-32H,3-14H2,1-2H3/t15-,16-,17-,18+,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1

InChI Key

XOXFQAJZWFFRMA-JMTJIOAGSA-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
Sigesbeckia pubescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Diterpene glycosides

Alternative Parents

Substituents

Diterpene glycoside
Kaurane diterpenoid
Diterpenoid
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Monosaccharide
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
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)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	139.84 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	123.28 m³·mol⁻¹	ChemAxon
Polarizability	53.65 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

101625120

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0256004)

MOL for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0256004 ((2r,3r,4s,5s,6r)-2-{[(1s,4s,5s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol)