NP-MRD: Showing NP-Card for 1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone (NP0218314)

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Record Information

Version

2.0

Created at

2022-09-05 18:56:21 UTC

Updated at

2022-09-05 18:56:22 UTC

NP-MRD ID

NP0218314

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Description

1,18,30-Trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]Hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group. 1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone is found in Streptomyces hygroscopicus. 1,18,30-Trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]Hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 04121502182D          

 62 65  0  0  0  0            999 V2000
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  4  5  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv0541 04121502182D          

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M  END
> <DATABASE_ID>
NP0218314

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)CC(=O)C(C)CC(C)C=CC=CC=C(C)C(O)CC3CCC(C)C(O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)CCC1O

> <INCHI_IDENTIFIER>
InChI=1S/C49H75NO12/c1-29-14-10-9-11-15-30(2)40(52)26-37-19-17-35(7)49(59,62-37)46(56)47(57)50-21-13-12-16-38(50)48(58)61-44(34(6)24-36-18-20-39(51)45(25-36)60-8)28-43(55)33(5)23-32(4)42(54)27-41(53)31(3)22-29/h9-11,14-15,23,29,31,33-40,42,44-45,51-52,54,59H,12-13,16-22,24-28H2,1-8H3

> <INCHI_KEY>
UHOYMAQUMOLYAF-UHFFFAOYSA-N

> <FORMULA>
C49H75NO12

> <MOLECULAR_WEIGHT>
870.134

> <EXACT_MASS>
869.528926859

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
137

> <JCHEM_AVERAGE_POLARIZABILITY>
96.36888257485239

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

> <ALOGPS_LOGP>
4.22

> <JCHEM_LOGP>
6.879745276000003

> <ALOGPS_LOGS>
-5.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.874296472358953

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.963845541935324

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0056066547609426

> <JCHEM_POLAR_SURFACE_AREA>
197.2

> <JCHEM_REFRACTIVITY>
239.82260000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.86e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-APR-15         0                                  
HETATM    1  C   UNK     0      -4.759  -9.089   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.760  -7.917   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.245  -8.196   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.246  -7.024   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.268  -7.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.267  -6.131   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.751  -4.680   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.763  -4.401   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.750  -3.508   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.152  -1.933   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.186  -1.170   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.590  -1.804   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.126   0.338   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.911   1.477   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.656   0.507   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.831   1.716   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.378   3.188   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.339   1.404   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.590   0.506   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.363   2.554   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.871   2.243   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.355   0.781   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       7.895   3.393   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.411   4.855   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.403   3.081   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.427   4.231   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.943   5.693   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.935   3.919   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.959   5.069   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.468   4.757   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.952   3.295   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.460   2.983   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.944   1.522   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      18.452   1.210   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      15.919   0.371   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      16.403  -1.091   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      14.411   0.683   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.387  -0.467   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.871  -1.929   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      12.847  -3.079   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      11.339  -2.767   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.315  -3.917   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.855  -1.305   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       9.831  -2.455   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      11.879  -0.155   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       9.347  -0.993   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       8.863   0.469   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       8.323  -2.143   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       8.807  -3.605   0.000  0.00  0.00           O+0
HETATM   50  N   UNK     0       6.815  -1.832   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0       6.331  -0.370   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       4.823  -0.058   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       3.799  -1.208   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       3.989  -3.254   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       5.791  -2.982   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       4.282  -2.670   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       3.032  -1.772   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0       3.258  -3.820   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       0.784  -8.755   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -0.215  -9.927   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -1.730  -9.648   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0      -2.729 -10.820   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   61                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   59                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   58                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39   45                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   45   46                                             
CONECT   44   43                                                            
CONECT   45   43   38                                                       
CONECT   46   43   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51   55                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   50   56                                                  
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56    9                                                       
CONECT   59    5   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60    3   62                                                  
CONECT   62   61                                                            
MASTER        0    0    0    0    0    0    0    0   62    0  130    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₉H₇₅NO₁₂

Average Mass

870.1340 Da

Monoisotopic Mass

869.52893 Da

IUPAC Name

1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Traditional Name

1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

CAS Registry Number

Not Available

SMILES

COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)CC(=O)C(C)CC(C)C=CC=CC=C(C)C(O)CC3CCC(C)C(O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)CCC1O

InChI Identifier

InChI=1S/C49H75NO12/c1-29-14-10-9-11-15-30(2)40(52)26-37-19-17-35(7)49(59,62-37)46(56)47(57)50-21-13-12-16-38(50)48(58)61-44(34(6)24-36-18-20-39(51)45(25-36)60-8)28-43(55)33(5)23-32(4)42(54)27-41(53)31(3)22-29/h9-11,14-15,23,29,31,33-40,42,44-45,51-52,54,59H,12-13,16-22,24-28H2,1-8H3

InChI Key

UHOYMAQUMOLYAF-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 hygroscopicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolide lactams

Sub Class

Not Available

Direct Parent

Macrolide lactams

Alternative Parents

Substituents

Macrolide lactam
Alpha-amino acid ester
Macrolide
Alpha-amino acid or derivatives
Cyclohexanol
Oxane
Piperidine
Cyclic alcohol
Tertiary carboxylic acid amide
Cyclic ketone
Secondary alcohol
Carboxamide group
Carboxylic acid ester
Hemiacetal
Ketone
Lactam
Lactone
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Azacycle
Dialkyl ether
Ether
Oxacycle
Monocarboxylic acid or derivatives
Organopnictogen compound
Alcohol
Carbonyl group
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	4.22	ALOGPS
logP	6.88	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	9.96	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	197.2 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	239.82 m³·mol⁻¹	ChemAxon
Polarizability	96.37 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	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

74045012

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone (NP0218314)

MOL for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

3D MOL for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

3D SDF for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

3D-SDF for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

PDB for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

3D PDB for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

SMILES for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

INCHI for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

Structure for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)

3D Structure for NP0218314 (1,18,30-trihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0⁴,⁹]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone)