NP-MRD: Showing NP-Card for (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one (NP0270191)

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Record Information

Version

2.0

Created at

2022-09-08 15:56:55 UTC

Updated at

2022-09-08 15:56:55 UTC

NP-MRD ID

NP0270191

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

Description

Didymin 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. (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one is found in Citrus aurantium, Citrus cavaleriei, Citrus sinensis, Citrus unshiu, Clinopodium chinense and Cyclotrichium niveum. Didymin is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

16760075
  Mrv0541 02271202012D          

 42 46  0  0  1  0            999 V2000
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 40 41  1  0  0  0  0
M  END

     RDKit          3D

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M  END

16760075
  Mrv0541 02271202012D          

 42 46  0  0  1  0            999 V2000
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   13.1264    2.2254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1233    3.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -0.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3888   -0.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1363   -1.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513   -1.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.6985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2223   -1.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3888   -1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -1.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 23  1  0  0  0  0
 20  2  1  6  0  0  0
  2 24  1  0  0  0  0
  3 20  1  0  0  0  0
  3 25  1  0  0  0  0
 16  4  1  1  0  0  0
 23  5  1  6  0  0  0
  5 27  1  0  0  0  0
 17  6  1  6  0  0  0
 18  7  1  1  0  0  0
 19  8  1  1  0  0  0
 21  9  1  1  0  0  0
 22 10  1  6  0  0  0
 11 29  1  0  0  0  0
 11 32  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  2  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  2  0  0  0  0
 29 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 32 33  1  0  0  0  0
 32 36  1  1  0  0  0
 33 35  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0270191

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

> <INCHI_KEY>
RMCRQBAILCLJGU-HIBKWJPLSA-N

> <FORMULA>
C28H34O14

> <MOLECULAR_WEIGHT>
594.5612

> <EXACT_MASS>
594.194855796

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
58.61120668944133

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-0.11

> <JCHEM_LOGP>
-0.010991665999998818

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.914314839854367

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.8353899612311

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121823516836606

> <JCHEM_POLAR_SURFACE_AREA>
214.05999999999997

> <JCHEM_REFRACTIVITY>
138.7861

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 16760075                                          
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-FEB-12         0                                  
HETATM    1  O   UNK     0      19.186  -0.486   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      21.847   1.064   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      23.172   3.379   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      21.865  -3.556   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      16.519  -0.497   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      19.204  -5.106   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      16.530  -3.577   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      24.521  -0.466   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      27.182   1.085   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      27.170   4.165   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      11.082  -0.534   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      13.775  -5.207   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      11.082  -5.154   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       4.414   1.776   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      20.523  -1.251   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.528  -2.791   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.198  -3.566   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.861  -2.801   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      24.515   1.074   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.178   1.839   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      25.845   1.849   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.839   3.389   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      17.855  -1.261   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.853  -0.476   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      24.503   4.154   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      24.497   5.694   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.188  -1.272   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.792  -0.480   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.416  -1.304   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      15.188  -2.876   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.416  -2.844   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.748  -1.304   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.748  -2.844   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.792  -3.667   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      11.082  -3.614   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.415  -0.534   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.415   1.006   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.081  -1.304   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.081   1.776   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.747  -0.534   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.747   1.006   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.080   1.006   0.000  0.00  0.00           C+0
CONECT    1   15   23                                                       
CONECT    2   20   24                                                       
CONECT    3   20   25                                                       
CONECT    4   16                                                            
CONECT    5   23   27                                                       
CONECT    6   17                                                            
CONECT    7   18                                                            
CONECT    8   19                                                            
CONECT    9   21                                                            
CONECT   10   22                                                            
CONECT   11   29   32                                                       
CONECT   12   34                                                            
CONECT   13   35                                                            
CONECT   14   41   42                                                       
CONECT   15    1   16   24                                                  
CONECT   16    4   15   17                                                  
CONECT   17    6   16   18                                                  
CONECT   18    7   17   23                                                  
CONECT   19    8   20   21                                                  
CONECT   20    2    3   19                                                  
CONECT   21    9   19   22                                                  
CONECT   22   10   21   25                                                  
CONECT   23    1    5   18                                                  
CONECT   24    2   15                                                       
CONECT   25    3   22   26                                                  
CONECT   26   25                                                            
CONECT   27    5   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   11   28   31                                                  
CONECT   30   27   34                                                       
CONECT   31   29   34   35                                                  
CONECT   32   11   33   36                                                  
CONECT   33   32   35                                                       
CONECT   34   12   30   31                                                  
CONECT   35   13   31   33                                                  
CONECT   36   32   37   38                                                  
CONECT   37   36   39                                                       
CONECT   38   36   40                                                       
CONECT   39   37   41                                                       
CONECT   40   38   41                                                       
CONECT   41   14   39   40                                                  
CONECT   42   14                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₄O₁₄

Average Mass

594.5612 Da

Monoisotopic Mass

594.19486 Da

IUPAC Name

(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

(2S)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2O1

InChI Identifier

InChI=1S/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChI Key

RMCRQBAILCLJGU-HIBKWJPLSA-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
Citrus aurantium	LOTUS Database	35616633
Citrus ichangensis	LOTUS Database	35616633
Citrus sinensis	LOTUS Database	35616633
Citrus unshiu	LOTUS Database	35616633
Clinopodium chinense	LOTUS Database	35616633
Cyclotrichium niveum	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
4p-methoxyflavonoid-skeleton
5-hydroxyflavonoid
Flavanone
Hydroxyflavonoid
Flavan
Phenolic glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Aryl ketone
Phenol ether
Aryl alkyl ketone
Anisole
Methoxybenzene
Phenoxy compound
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
Oxane
Fatty acyl
Monocyclic benzene moiety
Vinylogous acid
Secondary alcohol
Ketone
Ether
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Organooxygen compound
Aldehyde
Alcohol
Organic oxygen compound
Organic oxide
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	-0.11	ALOGPS
logP	-0.011	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	9.84	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	214.06 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	138.79 m³·mol⁻¹	ChemAxon
Polarizability	58.61 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

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

16760075

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one (NP0270191)

MOL for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0270191 ((2s)-5-hydroxy-2-(4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one)