NP-MRD: Showing NP-Card for (2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (NP0243011)

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Record Information

Version

2.0

Created at

2022-09-07 03:28:15 UTC

Updated at

2022-09-07 03:28:15 UTC

NP-MRD ID

NP0243011

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Description

Theasinensin F belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Theasinensin F is polyphenol flavonoid found in oolong tea. Theasinensin F is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Theasinensin F is found, on average, in the highest concentration within tea. (2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate is found in Camellia sinensis. This could make theasinensin F a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02011301362D          

 65 72  0  0  0  0            999 V2000
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  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
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 11  1  1  0  0  0
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 58 63  1  0  0  0  0
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 56 65  1  0  0  0  0
M  END

     RDKit          3D

 99106  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 02011301362D          

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M  END
> <DATABASE_ID>
NP0243011

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2/t34-,35-,41-,42-/m1/s1

> <INCHI_KEY>
JLFHSPGTENNODT-WLDZFSAMSA-N

> <FORMULA>
C44H34O21

> <MOLECULAR_WEIGHT>
898.7282

> <EXACT_MASS>
898.15925815

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
84.25348999297162

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R)-2-(2-{6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3,4-trihydroxyphenyl}-4,5-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
3.64

> <JCHEM_LOGP>
6.1298360223333335

> <ALOGPS_LOGS>
-3.99

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.286515821137607

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.755557260665823

> <JCHEM_PKA_STRONGEST_BASIC>
-5.548931353665584

> <JCHEM_POLAR_SURFACE_AREA>
374.51000000000005

> <JCHEM_REFRACTIVITY>
220.58790000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.30e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R)-2-(2-{6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3,4-trihydroxyphenyl}-4,5-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-FEB-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-FEB-13         0                                  
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HETATM   34  O   UNK     0      -9.801 -18.755   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.202 -17.985   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.202 -21.065   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -8.949 -21.615   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -8.949 -24.695   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.054 -23.925   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       0.387 -28.545   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -0.465 -22.605   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -6.281 -29.315   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -7.615 -30.085   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -7.615 -31.625   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -6.281 -32.395   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -4.948 -31.625   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -4.948 -30.085   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -6.281 -27.775   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -4.948 -27.005   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      -7.615 -27.005   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      -3.614 -32.395   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -6.281 -33.935   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -8.949 -32.395   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -0.465 -13.365   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -1.799 -12.595   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -1.799 -11.055   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -0.465 -10.285   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       0.868 -11.055   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       0.868 -12.595   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -0.465 -14.905   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       0.868 -15.675   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      -1.799 -15.675   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0       2.202 -10.285   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      -0.465  -8.745   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      -3.133 -10.285   0.000  0.00  0.00           O+0
CONECT    1    2    6   33                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9    7   62                                                  
CONECT   11    9   13   12                                                  
CONECT   12   16   11                                                       
CONECT   13   11   14   17                                                  
CONECT   14   13   15   41                                                  
CONECT   15   14   16   36                                                  
CONECT   16   15   12   35                                                  
CONECT   17   13   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   37                                                  
CONECT   20   19   21   38                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   17                                                  
CONECT   23   24   25   22                                                  
CONECT   24   23   28                                                       
CONECT   25   23   26   49                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   24   29   27                                                  
CONECT   29   28   32                                                       
CONECT   30   27   31   40                                                  
CONECT   31   30   32                                                       
CONECT   32   31   29   39                                                  
CONECT   33    1                                                            
CONECT   34    3                                                            
CONECT   35   16                                                            
CONECT   36   15                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39   32                                                            
CONECT   40   30                                                            
CONECT   41   14                                                            
CONECT   42   43   47   48                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   53                                                  
CONECT   45   44   46   52                                                  
CONECT   46   45   47   51                                                  
CONECT   47   46   42                                                       
CONECT   48   42   49   50                                                  
CONECT   49   25   48                                                       
CONECT   50   48                                                            
CONECT   51   46                                                            
CONECT   52   45                                                            
CONECT   53   44                                                            
CONECT   54   55   59   60                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   65                                                  
CONECT   57   56   58   64                                                  
CONECT   58   57   59   63                                                  
CONECT   59   58   54                                                       
CONECT   60   54   61   62                                                  
CONECT   61   60                                                            
CONECT   62   10   60                                                       
CONECT   63   58                                                            
CONECT   64   57                                                            
CONECT   65   56                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  144    0
END

View in JSmol

Synonyms

Value	Source
(2R,3R)-2-{6'-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2',3',4,4',5-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid	Generator

Chemical Formula

C₄₄H₃₄O₂₁

Average Mass

898.7282 Da

Monoisotopic Mass

898.15926 Da

IUPAC Name

(2R,3R)-2-(2-{6-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2,3,4-trihydroxyphenyl}-4,5-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Traditional Name

CAS Registry Number

Not Available

SMILES

OC1=CC2=C(C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](O2)C2=CC(O)=C(O)C=C2C2=C(C=C(O)C(O)=C2O)[C@H]2OC3=C(C[C@H]2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=CC(O)=C3)C(O)=C1

InChI Identifier

InChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2/t34-,35-,41-,42-/m1/s1

InChI Key

JLFHSPGTENNODT-WLDZFSAMSA-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
Camellia sinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
3p-methoxyflavonoid-skeleton
8-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavone
4'-hydroxyflavonoid
5-hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Methoxyphenol
Anisole
Phenoxy compound
Phenol ether
Methoxybenzene
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Monosaccharide
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
Organooxygen 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	3.64	ALOGPS
logP	6.13	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	7.76	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	374.51 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	220.59 m³·mol⁻¹	ChemAxon
Polarizability	84.25 Å³	ChemAxon
Number of Rings	8	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

HMDB0038830

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB018262

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Theasinensin F

METLIN ID

Not Available

PubChem Compound

467316

PDB ID

Not Available

ChEBI ID

136612

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (NP0243011)

MOL for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D MOL for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D SDF for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D-SDF for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

PDB for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D PDB for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

SMILES for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

INCHI for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

Structure for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D Structure for NP0243011 ((2r,3r)-2-{2'-[(2r,3r)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-2-yl]-4,4',5,5',6-pentahydroxy-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)