NP-MRD: Showing NP-Card for (1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione (NP0171750)

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Record Information

Version

2.0

Created at

2022-09-03 08:23:35 UTC

Updated at

2022-09-03 08:23:35 UTC

NP-MRD ID

NP0171750

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione

Description

Cripowellin B belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). (1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione is found in Crinum powellii. (1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione was first documented in 2016 (PMID: 27624525). Based on a literature review very few articles have been published on Cripowellin B (PMID: 30114468).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032210232D          

 37 41  0  0  1  0            999 V2000
   12.8455    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6503    0.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8584    0.0143    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6631   -0.7872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2597   -1.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0515   -1.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8713   -1.0189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6760   -1.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8842   -2.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2748   -0.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4701    0.3526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8736    0.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 35  1  0  0  0  0
  3 35  1  0  0  0  0
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 36 37  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309032210232D          

 37 41  0  0  1  0            999 V2000
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  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 17 27  1  6  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 24 30  1  0  0  0  0
 20 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  6  0  0  0
 11 35  1  0  0  0  0
  3 35  1  0  0  0  0
 35 36  1  6  0  0  0
 36 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0171750

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2CC(=O)[C@@H]3CCN(CC4=CC5=C(OCO5)C=C34)C(=O)[C@H]2O)[C@H](OC)[C@H]1OC

> <INCHI_IDENTIFIER>
InChI=1S/C25H33NO11/c1-31-21-19(10-27)37-25(23(33-3)22(21)32-2)36-18-8-15(28)13-4-5-26(24(30)20(18)29)9-12-6-16-17(7-14(12)13)35-11-34-16/h6-7,13,18-23,25,27,29H,4-5,8-11H2,1-3H3/t13-,18-,19-,20+,21-,22+,23-,25-/m1/s1

> <INCHI_KEY>
TXWCOJRTRFJBOE-RRFQCVKCSA-N

> <FORMULA>
C25H33NO11

> <MOLECULAR_WEIGHT>
523.535

> <EXACT_MASS>
523.205360887

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
52.029538469548456

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,14S,15R)-14-hydroxy-15-{[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0^{2,10}.0^{4,8}]nonadeca-2,4(8),9-triene-13,17-dione

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
-0.33714348033333313

> <ALOGPS_LOGS>
-1.98

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.253717950439995

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.168576145311741

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981298616956818

> <JCHEM_POLAR_SURFACE_AREA>
142.45

> <JCHEM_REFRACTIVITY>
124.55759999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.45e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,14S,15R)-14-hydroxy-15-{[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0^{2,10}.0^{4,8}]nonadeca-2,4(8),9-triene-13,17-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      23.978   1.955   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      23.614   0.459   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      22.136   0.027   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.771  -1.470   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      22.885  -2.533   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      24.363  -2.101   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      20.293  -1.902   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      19.929  -3.398   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      18.451  -3.831   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      19.180  -0.838   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      19.544   0.658   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      18.431   1.722   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      16.953   1.290   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.085   2.562   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.635   3.081   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.680   4.620   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      13.157   2.648   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.979   1.243   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.423  -0.274   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      14.488  -1.901   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      13.038  -1.382   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.170  -0.110   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.814  -0.840   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.503  -0.031   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.549   1.508   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.905   2.239   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.215   1.430   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.099   2.027   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.157   0.809   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       8.025  -0.463   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      15.966  -1.468   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      16.834  -2.740   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      16.907  -0.250   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      18.357  -0.769   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      21.022   1.091   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      21.387   2.587   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      22.865   3.019   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   35                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   35                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   33                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   27                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   31                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26   22   17                                                  
CONECT   28   25   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   24                                                       
CONECT   31   20   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   13   34                                                  
CONECT   34   33                                                            
CONECT   35   11    3   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₃NO₁₁

Average Mass

523.5350 Da

Monoisotopic Mass

523.20536 Da

IUPAC Name

(1R,14S,15R)-14-hydroxy-15-{[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0^{2,10}.0^{4,8}]nonadeca-2,4(8),9-triene-13,17-dione

Traditional Name

(1R,14S,15R)-14-hydroxy-15-{[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0^{2,10}.0^{4,8}]nonadeca-2,4(8),9-triene-13,17-dione

CAS Registry Number

Not Available

SMILES

CO[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2CC(=O)[C@@H]3CCN(CC4=CC5=C(OCO5)C=C34)C(=O)[C@H]2O)[C@H](OC)[C@H]1OC

InChI Identifier

InChI=1S/C25H33NO11/c1-31-21-19(10-27)37-25(23(33-3)22(21)32-2)36-18-8-15(28)13-4-5-26(24(30)20(18)29)9-12-6-16-17(7-14(12)13)35-11-34-16/h6-7,13,18-23,25,27,29H,4-5,8-11H2,1-3H3/t13-,18-,19-,20+,21-,22+,23-,25-/m1/s1

InChI Key

TXWCOJRTRFJBOE-RRFQCVKCSA-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
Crinum powellii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzazepines

Sub Class

Not Available

Direct Parent

Benzazepines

Alternative Parents

Substituents

Benzazepine
Glycosyl compound
O-glycosyl compound
Benzodioxole
Azepine
Monosaccharide
Oxane
Benzenoid
Tertiary carboxylic acid amide
Secondary alcohol
Carboxamide group
Ketone
Lactam
Acetal
Carboxylic acid derivative
Dialkyl ether
Ether
Azacycle
Oxacycle
Aldehyde
Alcohol
Primary alcohol
Carbonyl group
Organopnictogen compound
Organic oxide
Organic nitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	-0.16	ALOGPS
logP	-0.34	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	12.17	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	142.45 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	124.56 m³·mol⁻¹	ChemAxon
Polarizability	52.03 Å³	ChemAxon
Number of Rings	5	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

8896169

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10720831

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Chen MX, Huo JM, Hu J, Xu ZP, Zhang X: Amaryllidaceae alkaloids from Crinum latifolium with cytotoxic, antimicrobial, antioxidant, and anti-inflammatory activities. Fitoterapia. 2018 Oct;130:48-53. doi: 10.1016/j.fitote.2018.08.003. Epub 2018 Aug 13. [PubMed:30114468 ]
Presley CC, Krai P, Dalal S, Su Q, Cassera M, Goetz M, Kingston DGI: New potently bioactive alkaloids from Crinum erubescens. Bioorg Med Chem. 2016 Nov 1;24(21):5418-5422. doi: 10.1016/j.bmc.2016.08.058. Epub 2016 Aug 30. [PubMed:27624525 ]
LOTUS database [Link]

Showing NP-Card for (1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione (NP0171750)

MOL for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

3D MOL for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

3D SDF for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

3D-SDF for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

PDB for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

3D PDB for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

SMILES for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

INCHI for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

Structure for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)

3D Structure for NP0171750 ((1r,14s,15r)-14-hydroxy-15-{[(2r,3r,4s,5r,6r)-6-(hydroxymethyl)-3,4,5-trimethoxyoxan-2-yl]oxy}-5,7-dioxa-12-azatetracyclo[10.5.2.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-triene-13,17-dione)