NP-MRD: Showing NP-Card for (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol (NP0246329)

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Record Information

Version

2.0

Created at

2022-09-07 07:45:47 UTC

Updated at

2022-09-07 07:45:47 UTC

NP-MRD ID

NP0246329

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol

Description

Grayanoside B 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. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol is found in Pieris japonica and Rhododendron japonicum. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol was first documented in 2005 (PMID: 15990321). Based on a literature review very few articles have been published on Grayanoside B (PMID: 30452260).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072209452D          

 35 39  0  0  1  0            999 V2000
    2.1227    1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9364    0.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    0.1859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3711    0.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646   -0.2102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6895   -0.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    0.5202    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6711    1.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0744    1.9490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6527    2.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0559    3.3778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7 16  1  0  0  0  0
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  5 18  1  0  0  0  0
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  3 21  1  0  0  0  0
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 31 30  1  1  0  0  0
  2 31  1  0  0  0  0
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 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
 32 35  1  0  0  0  0
 26 35  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072209452D          

 35 39  0  0  1  0            999 V2000
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    0.6304    1.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1115    0.5228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7398   -0.4452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5282   -0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0568   -1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253   -0.8536    0.0000 C   0  0  0  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  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  1  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 30  1  1  0  0  0
  2 31  1  0  0  0  0
 26 31  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  1  0  0  0
 32 35  1  0  0  0  0
 26 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0246329

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2C(=C)[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@]1(O)[C@H](O)C3

> <INCHI_IDENTIFIER>
InChI=1S/C26H42O9/c1-12-14-6-5-13-8-25(14,11-24(13,4)32)9-17(28)26(33)15(12)7-18(23(26,2)3)35-22-21(31)20(30)19(29)16(10-27)34-22/h13-22,27-33H,1,5-11H2,2-4H3/t13-,14+,15+,16-,17-,18+,19-,20+,21-,22+,24-,25-,26+/m1/s1

> <INCHI_KEY>
ANXMAYKAWZAHMB-CMCDTBIBSA-N

> <FORMULA>
C26H42O9

> <MOLECULAR_WEIGHT>
498.613

> <EXACT_MASS>
498.282882932

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
53.17142700815283

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1R,3R,4R,6S,8S,10R,13R,14R)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-6-yl]oxy}oxane-3,4,5-triol

> <JCHEM_LOGP>
-0.8699934380000012

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.903135988233348

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.159118748101491

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6502024491419444

> <JCHEM_POLAR_SURFACE_AREA>
160.07

> <JCHEM_REFRACTIVITY>
124.14339999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1R,3R,4R,6S,8S,10R,13R,14R)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-6-yl]oxy}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       3.962   2.803   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.615   1.302   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.834   0.347   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.293   0.842   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.214  -0.392   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.754  -0.372   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       9.507   0.971   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       8.719   2.295   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       9.472   3.638   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.685   4.962   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.438   6.305   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.012   3.658   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.765   5.002   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      11.799   2.334   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      13.339   2.354   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      11.046   0.991   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      11.834  -0.333   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.325  -1.650   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.668  -2.403   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.717  -3.065   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.854  -1.193   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.163  -2.702   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.676  -2.195   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.051  -3.689   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.160  -1.867   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.348  -0.520   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.218   0.161   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.058   0.737   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.409   2.201   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.177   2.354   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.075   0.976   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.381  -0.831   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -2.853  -0.378   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.973  -2.253   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.047  -1.593   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    7   17                                                  
CONECT   17   16                                                            
CONECT   18    5   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18    3   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   31   35                                             
CONECT   27   26   28                                                       
CONECT   28   27   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30    2   26                                                  
CONECT   32   28   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32   26                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₄₂O₉

Average Mass

498.6130 Da

Monoisotopic Mass

498.28288 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2C(=C)[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@]1(O)[C@H](O)C3

InChI Identifier

InChI=1S/C26H42O9/c1-12-14-6-5-13-8-25(14,11-24(13,4)32)9-17(28)26(33)15(12)7-18(23(26,2)3)35-22-21(31)20(30)19(29)16(10-27)34-22/h13-22,27-33H,1,5-11H2,2-4H3/t13-,14+,15+,16-,17-,18+,19-,20+,21-,22+,24-,25-,26+/m1/s1

InChI Key

ANXMAYKAWZAHMB-CMCDTBIBSA-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
Pieris japonica	LOTUS Database	35616633
Rhododendron japonicum	LOTUS Database	35616633

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

O-glycosyl compound
Oxane
Monosaccharide
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
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

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

71298819

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101316949

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang HP, Wang LQ, Qin GW: Grayanane diterpenoids from the leaves of Craiobiodendron yunnanense. Bioorg Med Chem. 2005 Sep 1;13(17):5289-98. doi: 10.1016/j.bmc.2005.06.006. [PubMed:15990321 ]
Sun N, Zhu Y, Zhou H, Zhou J, Zhang H, Zhang M, Zeng H, Yao G: Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation. J Nat Prod. 2018 Dec 28;81(12):2673-2681. doi: 10.1021/acs.jnatprod.8b00490. Epub 2018 Nov 19. [PubMed:30452260 ]
LOTUS database [Link]

Showing NP-Card for (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol (NP0246329)

MOL for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

3D MOL for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

3D SDF for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

3D-SDF for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

PDB for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

3D PDB for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

SMILES for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

INCHI for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

Structure for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)

3D Structure for NP0246329 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,3r,4r,6s,8s,10r,13r,14r)-3,4,14-trihydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-6-yl]oxy}oxane-3,4,5-triol)