NP-MRD: Showing NP-Card for (2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (NP0302382)

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Record Information

Version

2.0

Created at

2022-09-10 15:53:42 UTC

Updated at

2022-09-10 15:53:42 UTC

NP-MRD ID

NP0302382

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Description

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241212302D          

 65 72  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv0541 02241212302D          

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M  END
> <DATABASE_ID>
NP0302382

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(15-4-25(51)36(57)26(52)5-15)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)14-1-2-20(46)22(48)3-14/h1-11,13,32,35,39-40,42,45-59H,12H2/t32-,35-,39-,40-,42-/m1/s1

> <INCHI_KEY>
AKLZJACFWIKHEV-WZPNJOEPSA-N

> <FORMULA>
C44H34O21

> <MOLECULAR_WEIGHT>
898.7282

> <EXACT_MASS>
898.15925815

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
83.9822678858382

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
3.75

> <JCHEM_LOGP>
5.981387459333333

> <ALOGPS_LOGS>
-3.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.320258447476272

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.771058804602531

> <JCHEM_PKA_STRONGEST_BASIC>
-5.548931352797571

> <JCHEM_POLAR_SURFACE_AREA>
374.51000000000005

> <JCHEM_REFRACTIVITY>
220.01830000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.73e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
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HETATM    3  C   UNK     0     -18.103  -6.238   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -16.770  -7.008   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -15.436  -6.238   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -15.436  -4.698   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -14.102  -3.928   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0     -14.102  -7.008   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -12.769  -6.238   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -12.769  -4.698   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -11.435  -3.928   0.000  0.00  0.00           C+0
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HETATM   21  O   UNK     0     -16.770  -8.548   0.000  0.00  0.00           O+0
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HETATM   25  C   UNK     0     -13.830 -14.879   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -12.497 -14.109   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -12.497 -12.569   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -11.163 -11.799   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0     -11.163 -14.879   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -9.829 -14.109   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -9.829 -12.569   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.496 -11.799   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.162  -9.489   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.496 -10.259   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -7.162 -12.569   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.828 -11.799   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.828 -10.259   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0     -16.498 -11.799   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -4.495  -9.489   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -4.495 -12.569   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0     -13.830 -16.419   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -7.162 -17.189   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -8.496 -17.959   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -8.496 -19.499   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -7.162 -20.269   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -5.828 -19.499   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -5.828 -17.959   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -7.162 -21.809   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      -4.495 -20.269   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      -9.829 -20.269   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -7.162 -15.649   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -5.828 -14.879   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -8.496 -14.879   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -2.048  -6.015   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -2.048  -7.555   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -0.714  -8.325   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       0.620  -7.555   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       0.620  -6.015   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -0.714  -5.245   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       1.954  -8.325   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0       1.953  -5.245   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      -0.714  -9.865   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0      -3.381  -5.245   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0      -3.381  -3.705   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0     -10.101  -0.078   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   21                                                  
CONECT    5    4    6    8                                                  
CONECT    6    1    7    5                                                  
CONECT    7    6   10                                                       
CONECT    8    5    9   22                                                  
CONECT    9    8   10   18                                                  
CONECT   10    7    9   11                                                  
CONECT   11   10   13   14                                                  
CONECT   12   13   16   65                                                  
CONECT   13   11   12                                                       
CONECT   14   11   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   12   15   19                                                  
CONECT   17    2                                                            
CONECT   18    9   63                                                       
CONECT   19   16                                                            
CONECT   20   15                                                            
CONECT   21    4                                                            
CONECT   22   23   27    8                                                  
CONECT   23   22   24   38                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   41                                                  
CONECT   26   25   27   29                                                  
CONECT   27   22   26   28                                                  
CONECT   28   27   31                                                       
CONECT   29   26   30                                                       
CONECT   30   29   31   53                                                  
CONECT   31   28   30   32                                                  
CONECT   32   31   34   35                                                  
CONECT   33   34   37                                                       
CONECT   34   32   33                                                       
CONECT   35   32   36                                                       
CONECT   36   35   37   40                                                  
CONECT   37   33   36   39                                                  
CONECT   38   23                                                            
CONECT   39   37                                                            
CONECT   40   36                                                            
CONECT   41   25                                                            
CONECT   42   43   47   51                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   50                                                  
CONECT   45   44   46   48                                                  
CONECT   46   45   47   49                                                  
CONECT   47   46   42                                                       
CONECT   48   45                                                            
CONECT   49   46                                                            
CONECT   50   44                                                            
CONECT   51   42   52   53                                                  
CONECT   52   51                                                            
CONECT   53   30   51                                                       
CONECT   54   55   59   63                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   62                                                  
CONECT   57   56   58   60                                                  
CONECT   58   57   59   61                                                  
CONECT   59   58   54                                                       
CONECT   60   57                                                            
CONECT   61   58                                                            
CONECT   62   56                                                            
CONECT   63   54   64   18                                                  
CONECT   64   63                                                            
CONECT   65   12                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  144    0
END

View in JSmol

Synonyms

Value	Source
Epigallocatechin-(4b->8)-epicatechin 3,3'-digallate	Generator
Epigallocatechin-(4b->8)-epicatechin 3,3'-digallic acid	Generator
Epigallocatechin-(4beta->8)-epicatechin 3,3'-digallic acid	Generator
Epigallocatechin-(4β->8)-epicatechin 3,3'-digallate	Generator
Epigallocatechin-(4β->8)-epicatechin 3,3'-digallic acid	Generator

Chemical Formula

C₄₄H₃₄O₂₁

Average Mass

898.7282 Da

Monoisotopic Mass

898.15926 Da

IUPAC Name

(2R,3R,4R)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Traditional Name

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C44H34O21/c45-18-10-23(49)33-31(11-18)62-40(15-4-25(51)36(57)26(52)5-15)42(65-44(61)17-8-29(55)38(59)30(56)9-17)35(33)34-24(50)13-21(47)19-12-32(63-43(60)16-6-27(53)37(58)28(54)7-16)39(64-41(19)34)14-1-2-20(46)22(48)3-14/h1-11,13,32,35,39-40,42,45-59H,12H2/t32-,35-,39-,40-,42-/m1/s1

InChI Key

AKLZJACFWIKHEV-WZPNJOEPSA-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 catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

Catechins

Alternative Parents

Substituents

Catechin
3-methoxyflavonoid-skeleton
5-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
4'-hydroxyflavonoid
Hydroxyflavonoid
1-benzopyran
Chromane
Benzopyran
Anisole
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Ether
Organoheterocyclic compound
Oxacycle
Dialkyl ether
Organooxygen compound
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	3.75	ALOGPS
logP	5.98	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	7.77	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	9	ChemAxon
Refractivity	220.02 m³·mol⁻¹	ChemAxon
Polarizability	83.98 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB004477

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

56652955

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (NP0302382)

MOL for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D MOL for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D SDF for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D-SDF for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

PDB for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D PDB for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

SMILES for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

INCHI for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

Structure for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)

3D Structure for NP0302382 ((2r,3r,4r)-4-[(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2h-1-benzopyran-8-yl]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate)