NP-MRD: Showing NP-Card for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one (NP0207356)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 03:56:09 UTC

Updated at

2022-09-05 03:56:09 UTC

NP-MRD ID

NP0207356

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one

Description

Luteolin 4'-methyl ether 7-(4g-rhamnosylneohesperidoside) 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. Thus, luteolin 4'-methyl ether 7-(4g-rhamnosylneohesperidoside) is considered to be a flavonoid. 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one is found in Dicranum scoparium. Based on a literature review very few articles have been published on Luteolin 4'-methyl ether 7-(4g-rhamnosylneohesperidoside).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052205562D          

 53 58  0  0  1  0            999 V2000
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  1  0  0  0
 22 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 17 36  1  0  0  0  0
 36 37  1  6  0  0  0
 38 37  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  1  0  0  0
 15 48  1  0  0  0  0
 48 49  2  0  0  0  0
 11 49  1  0  0  0  0
 49 50  1  0  0  0  0
  7 50  1  0  0  0  0
  6 51  1  0  0  0  0
 51 52  2  0  0  0  0
  3 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END

     RDKit          3D

 95100  0  0  0  0  0  0  0  0999 V2000
    9.8023   -2.1877   -5.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1546   -1.3576   -4.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2490   -0.9280   -3.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267   -1.3161   -3.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0189   -0.9027   -2.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952   -0.0690   -1.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3924    0.3440   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7181    1.1612    0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7678    1.5631    1.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883    2.3166    2.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856    1.0928    1.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997    1.4464    2.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383    2.2678    3.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937    0.9675    2.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754    0.1541    1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6172   -0.3237    0.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5326   -0.0964    1.7510 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0140   -1.2613    2.3458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -2.0465    1.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0252   -2.6157    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9001   -3.4013   -0.4132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0770   -1.3773    1.1023 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1551   -1.8502    1.8280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1184   -2.4476    0.9815 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2834   -1.7044    1.1598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3878   -2.2862    0.5826 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.3672   -2.3223   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6721   -3.6686    1.1331 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.9458   -3.7743    1.6536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6048   -3.9452    2.1886 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7870   -5.1532    2.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2674   -3.8731    1.4499 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3495   -4.7722    0.3915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609    0.1060    1.3978 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9957    0.8165    0.8414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6030    0.6385    0.9628 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6007    2.0043    1.2305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354    2.7850    0.1073 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2616    3.5353    0.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1587    4.2823   -1.0203 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0740    3.4535   -2.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    5.2970   -1.1597 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7672    6.5785   -1.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    5.1151   -0.0022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3685    5.9048   -0.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    3.6459   -0.0465 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3194    3.4285   -1.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8987   -0.1746    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    0.2733    0.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416   -0.0617   -0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7073    0.3160   -1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285   -0.1084   -2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9505    0.2880   -2.1071 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128   -3.2414   -4.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8470   -1.8923   -5.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6494   -2.1476   -5.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6532   -1.9639   -4.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9797   -1.2198   -2.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7184    1.5363    0.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161    2.5963    4.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881    1.2960    2.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2826    0.5762    2.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583   -2.9511    2.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6283   -1.8392   -0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2503   -3.3228    0.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6564   -3.3992   -1.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2128   -1.5728    0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7925   -2.4082   -0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2683   -1.6464    0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3776   -2.4954   -1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9910   -3.2117   -1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8754   -1.4498   -1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4952   -4.4156    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9736   -4.5988    2.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6652   -3.1423    2.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0973   -5.8148    2.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4946   -4.1953    2.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9479   -4.3990   -0.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0085    0.2172    2.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7759    0.8743    1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704    0.3963   -0.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3436    2.1074   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141    4.8483   -0.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0450    3.3961   -2.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3692    2.4451   -2.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210    3.9672   -2.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707    5.1185   -2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    6.6803   -2.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7513    5.3048    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716    6.1999   -1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711    3.5102    0.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948    3.4708   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163   -0.8226   -0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0573    0.9632   -0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3273    0.8884   -1.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6 51  1  0
 51 52  2  0
 52 53  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 22 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 15 48  1  0
 48 49  2  0
 49 50  1  0
 52  3  1  0
 50  7  1  0
 49 11  1  0
 36 17  1  0
 46 38  1  0
 32 24  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  4 57  1  0
  5 58  1  0
 51 94  1  0
 53 95  1  0
  8 59  1  0
 13 60  1  0
 14 61  1  0
 17 62  1  1
 19 63  1  1
 20 64  1  0
 20 65  1  0
 21 66  1  0
 22 67  1  6
 24 68  1  6
 26 69  1  6
 27 70  1  0
 27 71  1  0
 27 72  1  0
 28 73  1  6
 29 74  1  0
 30 75  1  1
 31 76  1  0
 32 77  1  1
 33 78  1  0
 34 79  1  1
 35 80  1  0
 36 81  1  6
 38 82  1  6
 40 83  1  1
 41 84  1  0
 41 85  1  0
 41 86  1  0
 42 87  1  6
 43 88  1  0
 44 89  1  1
 45 90  1  0
 46 91  1  1
 47 92  1  0
 48 93  1  0
M  END


  Mrv1652309052205562D          

 53 58  0  0  1  0            999 V2000
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  6  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  1  0  0  0
 22 34  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 17 36  1  0  0  0  0
 36 37  1  6  0  0  0
 38 37  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  1  0  0  0
 15 48  1  0  0  0  0
 48 49  2  0  0  0  0
 11 49  1  0  0  0  0
 49 50  1  0  0  0  0
  7 50  1  0  0  0  0
  6 51  1  0  0  0  0
 51 52  2  0  0  0  0
  3 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0207356

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C34H42O19/c1-11-23(39)25(41)27(43)32(47-11)52-30-21(10-35)51-34(31(29(30)45)53-33-28(44)26(42)24(40)12(2)48-33)49-14-7-16(37)22-17(38)9-19(50-20(22)8-14)13-4-5-18(46-3)15(36)6-13/h4-9,11-12,21,23-37,39-45H,10H2,1-3H3/t11-,12-,21+,23-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+/m0/s1

> <INCHI_KEY>
WUEFSLPUHKZZOW-JRQFAJNLSA-N

> <FORMULA>
C34H42O19

> <MOLECULAR_WEIGHT>
754.691

> <EXACT_MASS>
754.232029132

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
74.43571039003695

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_LOGP>
-1.1669015833333325

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.548631150726422

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.311633704489512

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182629449081

> <JCHEM_POLAR_SURFACE_AREA>
293.21

> <JCHEM_REFRACTIVITY>
173.26070000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.337 -12.320   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.669 -13.860   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      13.337  -0.000   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   52                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   51                                                  
CONECT    7    6    8   50                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   49                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   48                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   36                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23   34                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   32                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   24   33                                                  
CONECT   33   32                                                            
CONECT   34   22   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   17   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   46                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   38   47                                                  
CONECT   47   46                                                            
CONECT   48   15   49                                                       
CONECT   49   48   11   50                                                  
CONECT   50   49    7                                                       
CONECT   51    6   52                                                       
CONECT   52   51    3   53                                                  
CONECT   53   52                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₂O₁₉

Average Mass

754.6910 Da

Monoisotopic Mass

754.23203 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1O)C1=CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1

InChI Identifier

InChI=1S/C34H42O19/c1-11-23(39)25(41)27(43)32(47-11)52-30-21(10-35)51-34(31(29(30)45)53-33-28(44)26(42)24(40)12(2)48-33)49-14-7-16(37)22-17(38)9-19(50-20(22)8-14)13-4-5-18(46-3)15(36)6-13/h4-9,11-12,21,23-37,39-45H,10H2,1-3H3/t11-,12-,21+,23-,24-,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+/m0/s1

InChI Key

WUEFSLPUHKZZOW-JRQFAJNLSA-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
Dicranum scoparium	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

Oligosaccharide
Flavonoid-7-o-glycoside
4p-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
Phenolic glycoside
Chromone
O-glycosyl compound
Glycosyl compound
Methoxyphenol
Benzopyran
1-benzopyran
Methoxybenzene
Phenoxy compound
Phenol ether
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Phenol
Oxane
Pyran
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00004365

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

162923183

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one (NP0207356)

MOL for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

3D MOL for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

3D SDF for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

3D-SDF for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

PDB for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

3D PDB for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

SMILES for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

INCHI for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

Structure for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)

3D Structure for NP0207356 (5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-4-hydroxy-6-(hydroxymethyl)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-2-yl]oxy}chromen-4-one)