NP-MRD: Showing NP-Card for (2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate (NP0205536)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 01:28:11 UTC

Updated at

2022-09-05 01:28:12 UTC

NP-MRD ID

NP0205536

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate

Description

Myconoside belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. (2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate was first documented in 2021 (PMID: 34108826). Based on a literature review a small amount of articles have been published on Myconoside (PMID: 35702035) (PMID: 34988784) (PMID: 33578811).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052203282D          

 52 56  0  0  1  0            999 V2000
   -0.2704   -5.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908   -5.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -5.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402   -6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251   -7.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456   -7.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -7.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -8.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1799   -9.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745   -8.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389   -9.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896   -7.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264   -4.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.7154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2770   -2.9617    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0975   -2.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331   -2.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -1.4544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1231   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.1848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9836    0.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8947    0.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031   -0.6697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9877   -0.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921   -2.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -2.3805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5133   -1.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271    0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    0.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440    1.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796    2.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4765    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9614    2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8120    1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639   -3.1342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1844   -3.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1210   -3.8016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2146   -4.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -4.6415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5871   -4.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -4.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -5.1845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0795   -5.1845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -6.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733   -6.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -5.3560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1120   -6.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 12  1  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  1  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  6  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 39  1  0  0  0  0
 28 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 42  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  1  0  0  0
 44 43  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  6  0  0  0
 49 50  1  0  0  0  0
 47 51  1  0  0  0  0
 44 51  1  0  0  0  0
 51 52  1  1  0  0  0
M  END

     RDKit          3D

 96100  0  0  0  0  0  0  0  0999 V2000
   -2.7893    1.9917    0.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8552    1.1568   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1196    0.8336   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9161   -0.1932   -1.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1937   -0.5312   -2.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6440    0.1373   -3.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8571   -0.2228   -4.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6334   -1.2452   -3.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8339   -1.5937   -4.4439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1668   -1.9134   -2.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9406   -2.9639   -2.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9738   -1.5677   -2.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6620    0.5610   -0.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    0.8326    0.0133 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6099    1.2993   -0.9706 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7558    1.9359   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3944    2.9736    0.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916    4.0969   -0.0697 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7339    5.1922    0.0855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510    6.3229    0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3883    5.9567    0.6069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4242    6.6561   -0.0438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624    6.2611    2.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    7.6302    2.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4954    4.4808    0.3241 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3425    4.2400   -0.7657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1661    0.3423   -1.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4891   -0.8599   -1.2125 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7644   -0.7839   -0.7271 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7111   -1.5369   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364   -3.0147   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7155   -3.6030   -2.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6798   -3.8077   -3.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7631   -4.3504   -4.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9016   -4.6968   -3.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960   -5.2446   -4.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9665   -4.5004   -1.9587 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1081   -4.8459   -1.2485 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8651   -3.9592   -1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793   -1.3915   -0.1696 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4886   -2.0803   -0.7883 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064   -0.4063    0.7751 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8199   -0.1048    1.8715 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992   -0.4333    3.0395 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0679    0.6020    3.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2136    0.0692    5.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218   -1.3886    5.1488 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0001   -2.1689    4.9236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9022   -1.8336    6.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432   -1.7335    7.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744   -1.4620    3.8737 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9642   -2.7104    3.3039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8665    0.4225   -0.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5209    1.7750   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1507    0.1761   -2.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5211   -1.1107   -1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0506    0.9427   -4.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1916    0.3290   -5.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1431   -1.0889   -5.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8042   -3.2268   -2.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6044   -2.0859   -1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    1.5990    0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1583    2.0673   -1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5514    2.2648   -0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1884    1.1374    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9215    3.8478   -1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    7.0482    0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9016    6.8152   -0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1843    6.6953   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3894    5.7779    2.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4257    5.9823    2.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571    8.1223    1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8700    3.9171    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920    4.6985   -0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740   -1.6017   -2.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894   -1.3240   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182   -1.2178   -2.3878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6483   -3.3452   -1.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400   -3.4542   -0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849   -3.5371   -3.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   -4.5042   -5.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8228   -5.4924   -3.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0989   -4.6824   -0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836   -3.7942   -0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1394   -2.1938    0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8936   -2.6186   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572   -0.8485    1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8143   -0.8703    2.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979    0.1962    5.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.5875    5.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7221   -3.0961    4.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469   -2.8633    6.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232   -1.1109    6.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6056   -2.4526    7.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9798   -1.0791    4.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7085   -3.2281    3.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 23  1  0
 23 21  1  0
 21 22  1  6
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  2  0
 28 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  6
 47 49  1  0
 49 50  1  0
 47 51  1  0
 51 52  1  0
 42 14  1  0
 14 13  1  0
 13  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 18 25  1  0
 25 26  1  0
 25 21  1  0
 14 15  1  0
 12  5  1  0
 39 32  1  0
 51 44  1  0
 24 72  1  0
 23 70  1  0
 23 71  1  0
 22 69  1  0
 20 67  1  0
 20 68  1  0
 18 66  1  6
 16 64  1  0
 16 65  1  0
 15 63  1  6
 28 75  1  6
 30 76  1  0
 30 77  1  0
 31 78  1  0
 31 79  1  0
 33 80  1  0
 34 81  1  0
 36 82  1  0
 38 83  1  0
 39 84  1  0
 40 85  1  1
 41 86  1  0
 42 87  1  1
 44 88  1  6
 46 89  1  0
 46 90  1  0
 48 91  1  0
 49 92  1  0
 49 93  1  0
 50 94  1  0
 51 95  1  1
 52 96  1  0
 14 62  1  1
  3 53  1  0
  3 54  1  0
  4 55  1  0
  4 56  1  0
  6 57  1  0
  7 58  1  0
  9 59  1  0
 11 60  1  0
 12 61  1  0
 25 73  1  1
 26 74  1  0
M  END


  Mrv1652309052203282D          

 52 56  0  0  1  0            999 V2000
   -0.2704   -5.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908   -5.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -5.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2402   -6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251   -7.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5456   -7.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0305   -7.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6950   -8.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1799   -9.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745   -8.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389   -9.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896   -7.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264   -4.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -3.7154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2770   -2.9617    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0975   -2.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4331   -2.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9481   -1.4544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1231   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -0.1848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9836    0.4283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8947    0.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031   -0.6697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9877   -0.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921   -2.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0284   -2.3805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5133   -1.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777   -0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6627   -0.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3271    0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    0.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    1.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440    1.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796    2.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4765    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9614    2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8120    1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639   -3.1342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1844   -3.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1210   -3.8016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2146   -4.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -4.6415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5871   -4.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -4.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545   -5.1845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0795   -5.1845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -6.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733   -6.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -5.3560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1120   -6.1097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 12  1  0  0  0  0
  2 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  1  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  6  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 39  1  0  0  0  0
 28 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 42  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  1  0  0  0
 44 43  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  6  0  0  0
 49 50  1  0  0  0  0
 47 51  1  0  0  0  0
 44 51  1  0  0  0  0
 51 52  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0205536

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H]2OC(=O)CCC2=CC=C(O)C(O)=C2)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C33H44O19/c34-12-32(44)14-48-30(27(32)42)47-11-22-25(51-23(40)6-3-16-1-4-18(36)20(38)9-16)26(52-31-28(43)33(45,13-35)15-49-31)24(41)29(50-22)46-8-7-17-2-5-19(37)21(39)10-17/h1-2,4-5,9-10,22,24-31,34-39,41-45H,3,6-8,11-15H2/t22-,24-,25-,26-,27+,28+,29-,30-,31+,32-,33-/m1/s1

> <INCHI_KEY>
MEWILMODVZDJRO-QGJICQQOSA-N

> <FORMULA>
C33H44O19

> <MOLECULAR_WEIGHT>
744.696

> <EXACT_MASS>
744.247679197

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
71.90897279520705

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5R,6R)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate

> <JCHEM_LOGP>
-1.323503903666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.671512444549192

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.058236885590391

> <JCHEM_PKA_STRONGEST_BASIC>
-4.034685823884323

> <JCHEM_POLAR_SURFACE_AREA>
304.21

> <JCHEM_REFRACTIVITY>
169.78060000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R,5R,6R)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate

> <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  O   UNK     0      -0.505  -9.749   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.036  -9.588   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.941 -10.834   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.315 -12.241   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.220 -13.487   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.752 -13.326   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.657 -14.572   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.031 -15.979   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -5.936 -17.224   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -3.499 -16.140   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.873 -17.546   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -2.594 -14.894   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.663  -8.181   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.757  -6.935   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.384  -5.529   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.915  -5.368   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.542  -3.961   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.637  -2.715   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.097  -2.715   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.621  -1.250   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.867  -0.345   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.836   0.799   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -3.897   0.799   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -5.403   0.479   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -4.112  -1.250   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -5.577  -0.774   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -1.479  -4.283   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.053  -4.444   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.958  -3.198   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       0.332  -1.791   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.237  -0.545   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.611   0.862   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.921   1.023   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -1.547   2.430   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.642   3.676   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.269   5.082   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       0.889   3.515   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.795   4.761   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.516   2.108   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.679  -5.850   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       2.211  -6.011   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.226  -7.096   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.401  -8.503   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       1.932  -8.664   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       2.963  -7.520   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       4.369  -8.146   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.208  -9.678   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       5.748  -9.678   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       4.369 -11.209   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       3.124 -12.114   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       2.702  -9.998   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       2.076 -11.405   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    5                                                       
CONECT   13    2   14                                                       
CONECT   14   13   15   42                                                  
CONECT   15   14   16   27                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   25                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23   25                                             
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23                                                            
CONECT   25   21   18   26                                                  
CONECT   26   25                                                            
CONECT   27   15   28                                                       
CONECT   28   27   29   40                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   39                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   32                                                       
CONECT   40   28   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   14   43                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   51                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48   49   51                                             
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49                                                            
CONECT   51   47   44   52                                                  
CONECT   52   51                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₄₄O₁₉

Average Mass

744.6960 Da

Monoisotopic Mass

744.24768 Da

IUPAC Name

(2R,3R,4R,5R,6R)-4-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCC3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H]2OC(=O)CCC2=CC=C(O)C(O)=C2)[C@@H]1O

InChI Identifier

InChI=1S/C33H44O19/c34-12-32(44)14-48-30(27(32)42)47-11-22-25(51-23(40)6-3-16-1-4-18(36)20(38)9-16)26(52-31-28(43)33(45,13-35)15-49-31)24(41)29(50-22)46-8-7-17-2-5-19(37)21(39)10-17/h1-2,4-5,9-10,22,24-31,34-39,41-45H,3,6-8,11-15H2/t22-,24-,25-,26-,27+,28+,29-,30-,31+,32-,33-/m1/s1

InChI Key

MEWILMODVZDJRO-QGJICQQOSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Glycosyl compound
O-glycosyl compound
Tyrosol derivative
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Oxane
Tertiary alcohol
Oxolane
Secondary alcohol
Carboxylic acid ester
Acetal
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Hydrocarbon derivative
Carbonyl group
Organic oxide
Primary alcohol
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	-1.3	ChemAxon
pKa (Strongest Acidic)	9.06	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	304.21 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	169.78 m³·mol⁻¹	ChemAxon
Polarizability	71.91 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

8994126

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10818823

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Godevac D, Ivanovic S, Simic K, Andelkovic B, Jovanovic Z, Rakic T: Metabolomics study of the desiccation and recovery process in the resurrection plants Ramonda serbica and R. nathaliae. Phytochem Anal. 2022 Aug;33(6):961-970. doi: 10.1002/pca.3151. Epub 2022 Jun 14. [PubMed:35702035 ]
Kostadinova A, Hazarosova R, Topouzova-Hristova T, Moyankova D, Yordanova V, Veleva R, Nikolova B, Momchilova A, Djilianov D, Staneva G: Myconoside interacts with the plasma membranes and the actin cytoskeleton and provokes cytotoxicity in human lung adenocarcinoma A549 cells. J Bioenerg Biomembr. 2022 Feb;54(1):31-43. doi: 10.1007/s10863-021-09928-x. Epub 2022 Jan 6. [PubMed:34988784 ]
Georgieva K, Mihailova G, Gigova L, Dagnon S, Simova-Stoilova L, Velitchkova M: The role of antioxidant defense in freezing tolerance of resurrection plant Haberlea rhodopensis. Physiol Mol Biol Plants. 2021 May;27(5):1119-1133. doi: 10.1007/s12298-021-00998-0. Epub 2021 May 7. [PubMed:34108826 ]
Amirova KM, Dimitrova PA, Marchev AS, Krustanova SV, Simova SD, Alipieva KI, Georgiev MI: Biotechnologically-Produced Myconoside and Calceolarioside E Induce Nrf2 Expression in Neutrophils. Int J Mol Sci. 2021 Feb 10;22(4):1759. doi: 10.3390/ijms22041759. [PubMed:33578811 ]
LOTUS database [Link]

Showing NP-Card for (2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate (NP0205536)

MOL for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

3D MOL for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

3D SDF for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

3D-SDF for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

PDB for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

3D PDB for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

SMILES for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

INCHI for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

Structure for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)

3D Structure for NP0205536 ((2r,3r,4r,5r,6r)-4-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)propanoate)