NP-MRD: Showing NP-Card for (1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one (NP0233206)

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Record Information

Version

2.0

Created at

2022-09-06 14:43:31 UTC

Updated at

2022-09-06 14:43:31 UTC

NP-MRD ID

NP0233206

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one

Description

Daphnodorin H belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. (1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one is found in Daphne odora. (1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one was first documented in 2005 (PMID: 16220789). Based on a literature review very few articles have been published on Daphnodorin H.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062216432D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309062216432D          

 41 47  0  0  1  0            999 V2000
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    1.2668    2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    1.2401    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0835    1.7116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4764    0.4181    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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 27 28  1  0  0  0  0
  2 28  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  1  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 32 38  1  0  0  0  0
 31 39  1  0  0  0  0
 39 40  1  6  0  0  0
 39 41  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233206

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1CC2=C(O)C=C3O[C@]4(OC5=CC(O)=CC(O)=C5C(=O)[C@]4(O)C3=C2O[C@H]1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H22O11/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)29(38)28(37)24-20(35)9-17(33)10-22(24)40-30(29,41-23)14-3-7-16(32)8-4-14/h1-10,12,21,26,31-36,38H,11H2/t21-,26+,29-,30-/m1/s1

> <INCHI_KEY>
SJKVDYNUXFTAEE-RAVJEGGQSA-N

> <FORMULA>
C30H22O11

> <MOLECULAR_WEIGHT>
558.495

> <EXACT_MASS>
558.116211528

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
54.48466685886771

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,5S,6R,13S)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2,8,10,15,17,19-hexaen-21-one

> <JCHEM_LOGP>
4.520594242333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.801632765930306

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.655597982160315

> <JCHEM_PKA_STRONGEST_BASIC>
-3.290403346870077

> <JCHEM_POLAR_SURFACE_AREA>
186.36999999999998

> <JCHEM_REFRACTIVITY>
140.8544

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,5S,6R,13S)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2,8,10,15,17,19-hexaen-21-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  O   UNK     0      -2.612   2.691   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.408   1.373   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.948   1.404   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.691   2.753   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.895   4.071   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -7.231   2.783   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.028   1.465   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -9.567   1.496   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -7.284   0.117   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.745   0.086   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -5.001  -1.263   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.462  -1.294   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.116  -2.688   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.236  -3.951   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.890  -5.345   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.425  -5.476   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -6.079  -6.870   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -6.305  -4.212   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.650  -2.818   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -2.454  -2.458   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.035  -1.860   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.359  -2.514   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.623  -1.634   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       3.017  -2.289   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.492  -0.100   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.098   0.555   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.166  -0.326   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.665   0.025   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.735   1.252   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -0.032   2.089   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       1.231   2.969   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.101   4.504   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.293   5.158   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.423   6.692   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.840   7.573   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.710   9.107   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.234   6.918   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.365   5.384   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.626   2.315   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       3.889   3.195   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       2.756   0.780   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   28                                                  
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   20   28                                             
CONECT   13   12   14   19                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   13                                                       
CONECT   20   12   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   41                                                  
CONECT   26   25   27   30                                                  
CONECT   27   26   21   28                                                  
CONECT   28   27    2   12   29                                             
CONECT   29   28                                                            
CONECT   30   26   31                                                       
CONECT   31   30   32   39                                                  
CONECT   32   31   33   38                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   32                                                       
CONECT   39   31   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   25                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₂O₁₁

Average Mass

558.4950 Da

Monoisotopic Mass

558.11621 Da

IUPAC Name

(1R,5S,6R,13S)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2,8,10,15,17,19-hexaen-21-one

Traditional Name

(1R,5S,6R,13S)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2,8,10,15,17,19-hexaen-21-one

CAS Registry Number

Not Available

SMILES

O[C@@H]1CC2=C(O)C=C3O[C@]4(OC5=CC(O)=CC(O)=C5C(=O)[C@]4(O)C3=C2O[C@H]1C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C30H22O11/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)39-26)29(38)28(37)24-20(35)9-17(33)10-22(24)40-30(29,41-23)14-3-7-16(32)8-4-14/h1-10,12,21,26,31-36,38H,11H2/t21-,26+,29-,30-/m1/s1

InChI Key

SJKVDYNUXFTAEE-RAVJEGGQSA-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
Daphne odora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Biflavonoids and polyflavonoids

Direct Parent

Biflavonoids and polyflavonoids

Alternative Parents

Substituents

Bi- and polyflavonoid skeleton
Coumaronochromone
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavan-3-ol
Flavanone
Hydroxyflavonoid
Isoflavanol
Isoflavanone
Coumaronochromene
Neolignan skeleton
Flavan
Isoflavan
Isoflavonoid
Chromone
Chromane
Benzopyran
1-benzopyran
Coumaran
Furopyran
Aryl alkyl ketone
Aryl ketone
Alkyl aryl ether
Ketal
1-hydroxy-4-unsubstituted benzenoid
Phenol
1-hydroxy-2-unsubstituted benzenoid
Pyran
Monocyclic benzene moiety
Benzenoid
Furan
Vinylogous acid
Tertiary alcohol
Secondary alcohol
Ketone
Organoheterocyclic compound
Oxacycle
Polyol
Ether
Acetal
Organooxygen compound
Alcohol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
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	4.52	ChemAxon
pKa (Strongest Acidic)	7.66	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	140.85 m³·mol⁻¹	ChemAxon
Polarizability	54.48 Å³	ChemAxon
Number of Rings	7	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

C00058443

Chemspider ID

13115480

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15984107

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zheng WF, Shi F: Three biflavonoids from ethanol extract of the root of Daphne genkwa. Yao Xue Xue Bao. 2005 May;40(5):438-42. [PubMed:16220789 ]
LOTUS database [Link]

Showing NP-Card for (1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one (NP0233206)

MOL for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

3D MOL for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

3D SDF for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

3D-SDF for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

PDB for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

3D PDB for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

SMILES for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

INCHI for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

Structure for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)

3D Structure for NP0233206 ((1r,5s,6r,13s)-1,6,9,17,19-pentahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one)