NP-MRD: Showing NP-Card for 12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate (NP0185754)

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Record Information

Version

2.0

Created at

2022-09-04 01:17:38 UTC

Updated at

2022-09-04 01:17:38 UTC

NP-MRD ID

NP0185754

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate

Description

Antibiotic RP-23672 belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate is found in Streptomyces chryseus. Antibiotic RP-23672 is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004161521492D          

 68 71  0  0  0  0            999 V2000
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0026   -2.4750    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 14 64  1  0  0  0  0
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  9 66  1  0  0  0  0
  3 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004161521492D          

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 64 65  1  0  0  0  0
  9 66  1  0  0  0  0
  3 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0185754

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(O)C(C)OC(OCC(C)C2OC(=O)C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C(OC3OC(C)CC(=O)C3O)C(C)CC(C)(O)C(=O)C(C)C(OC(=O)C(O)C(C)C)C2C)C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C48H82O20/c1-20(2)32(50)44(56)67-37-25(7)36(22(4)19-61-46-40(60-15)39(59-14)33(51)28(10)64-46)66-43(55)27(9)38(65-31-18-48(13,58)42(54)29(11)63-31)24(6)35(21(3)17-47(12,57)41(53)26(37)8)68-45-34(52)30(49)16-23(5)62-45/h20-29,31-40,42,45-46,50-52,54,57-58H,16-19H2,1-15H3

> <INCHI_KEY>
ZIYHVXDEFIKGMH-UHFFFAOYSA-N

> <FORMULA>
C48H82O20

> <MOLECULAR_WEIGHT>
979.164

> <EXACT_MASS>
978.53994504

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
150

> <JCHEM_AVERAGE_POLARIZABILITY>
103.91824610407997

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate

> <ALOGPS_LOGP>
1.78

> <JCHEM_LOGP>
3.563925880333335

> <ALOGPS_LOGS>
-3.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.32224521882927

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.561385153564757

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3152364252140556

> <JCHEM_POLAR_SURFACE_AREA>
281.96

> <JCHEM_REFRACTIVITY>
238.35200000000017

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.48e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
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HETATM    4  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -5.335  -1.540   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
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HETATM   13  C   UNK     0     -10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
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HETATM   20  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -6.668  -8.470   0.000  0.00  0.00           O+0
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HETATM   24  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.141  -9.147   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.151  -7.433   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.335  -6.160   0.000  0.00  0.00           O+0
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HETATM   33  C   UNK     0      -6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -9.336 -11.550   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -8.002 -12.320   0.000  0.00  0.00           C+0
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HETATM   38  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -6.668 -16.170   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -9.336 -14.630   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0     -10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0     -13.864 -10.687   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0     -14.853  -8.973   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0     -13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0     -14.840  -6.299   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0     -12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0     -10.472  -6.769   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0     -12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0     -13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0     -14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0     -14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0     -16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0     -16.004  -3.080   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0     -17.338  -5.390   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0     -17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0     -18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0     -10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0     -11.575  -3.374   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -6.668   0.770   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0      -8.002   3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   66                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   66                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   64                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   32                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   22                                                       
CONECT   32   20   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   45                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   43                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   36   44                                                  
CONECT   44   43                                                            
CONECT   45   34   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49   50   51                                             
CONECT   49   48                                                            
CONECT   50   48                                                            
CONECT   51   48   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56   64                                                  
CONECT   56   55   57                                                       
CONECT   57   56   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61                                                            
CONECT   64   55   14   65                                                  
CONECT   65   64                                                            
CONECT   66    9    3   67                                                  
CONECT   67   66   68                                                       
CONECT   68   67                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  142    0
END

View in JSmol

Synonyms

Value	Source
12-[(4,5-Dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoic acid	Generator

Chemical Formula

C₄₈H₈₂O₂₀

Average Mass

979.1640 Da

Monoisotopic Mass

978.53995 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1C(O)C(C)OC(OCC(C)C2OC(=O)C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C(OC3OC(C)CC(=O)C3O)C(C)CC(C)(O)C(=O)C(C)C(OC(=O)C(O)C(C)C)C2C)C1OC

InChI Identifier

InChI=1S/C48H82O20/c1-20(2)32(50)44(56)67-37-25(7)36(22(4)19-61-46-40(60-15)39(59-14)33(51)28(10)64-46)66-43(55)27(9)38(65-31-18-48(13,58)42(54)29(11)63-31)24(6)35(21(3)17-47(12,57)41(53)26(37)8)68-45-34(52)30(49)16-23(5)62-45/h20-29,31-40,42,45-46,50-52,54,57-58H,16-19H2,1-15H3

InChI Key

ZIYHVXDEFIKGMH-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
Streptomyces chryseus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Glycosyl compound
O-glycosyl compound
Fatty acid ester
Acyloin
Dicarboxylic acid or derivatives
Fatty acyl
Monosaccharide
Oxane
Tertiary alcohol
Carboxylic acid ester
Ketone
Lactone
Cyclic ketone
Secondary alcohol
Oxacycle
Ether
Dialkyl ether
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	1.78	ALOGPS
logP	3.56	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	11.56	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	281.96 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	238.35 m³·mol⁻¹	ChemAxon
Polarizability	103.92 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

216479

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate (NP0185754)

MOL for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

3D MOL for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

3D SDF for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

3D-SDF for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

PDB for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

3D PDB for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

SMILES for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

INCHI for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

Structure for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)

3D Structure for NP0185754 (12-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-7-hydroxy-2-{1-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]propan-2-yl}-10-[(3-hydroxy-6-methyl-4-oxooxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-6,14-dioxo-1-oxacyclotetradecan-4-yl 2-hydroxy-3-methylbutanoate)