NP-MRD: Showing NP-Card for 2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one (NP0290743)

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Record Information

Version

2.0

Created at

2022-09-09 21:34:23 UTC

Updated at

2022-09-09 21:34:23 UTC

NP-MRD ID

NP0290743

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one

Description

Evolvoside E belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one is found in Evolvulus alsinoides. Based on a literature review very few articles have been published on Evolvoside E.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092223342D          

 55 60  0  0  1  0            999 V2000
   -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 O   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    1.2375    0.0000 C   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
    4.2868   -0.0000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    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
    6.4302   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   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 C   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  1  0  0  0  0
  6  7  1  0  0  0  0
  5  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  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  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
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 43  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  1  1  0  0  0
 21 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
 47 48  1  6  0  0  0
 47 49  1  0  0  0  0
 19 49  1  0  0  0  0
 49 50  1  1  0  0  0
 17 51  1  0  0  0  0
 51 52  2  0  0  0  0
 14 52  1  0  0  0  0
 13 53  1  0  0  0  0
 53 54  1  0  0  0  0
  8 54  1  0  0  0  0
 54 55  2  0  0  0  0
  3 55  1  0  0  0  0
M  END

     RDKit          3D

 99104  0  0  0  0  0  0  0  0999 V2000
   12.0354    0.4266    2.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5143    0.9573    1.7414 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6321    1.0611    0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1408    1.5921   -0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2990    1.7105   -1.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7455    2.2284   -2.8022 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0301    2.6818   -3.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9858    1.3084   -1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1635    1.4341   -2.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5927    1.9116   -3.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8358    1.0151   -2.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0540    1.1641   -3.5627 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3520    0.5013   -1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9732    0.0630   -1.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5634   -0.2750    0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -0.6959    0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211   -0.8215   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -1.2201   -0.2332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -1.6133    0.0432 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1656   -0.4991    0.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862   -0.9975    0.8630 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2001   -0.0187    0.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3837   -0.6221    1.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143    0.1718    0.8338 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1293    0.4534    2.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3872   -0.6592    2.8060 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1593   -0.1986    4.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2482   -1.6737    2.0856 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0197   -2.9143    2.7186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8875   -1.8344    0.6461 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0021   -2.3882   -0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5271   -0.5578   -0.0348 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6544    0.2425   -0.1511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9252    0.5635   -1.4862 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8544    1.8907   -1.7719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9672    2.6554   -1.6379 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.0757    3.4204   -0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2742    4.1491   -0.3394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2796    1.9916   -1.9181 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.2114    2.8017   -2.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1050    0.7278   -2.7419 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.3390    0.1019   -2.8308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1667   -0.1516   -1.9254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8905   -1.2748   -2.7290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -1.5949    2.2405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9643   -2.5900    2.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730   -2.1802    2.4119 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2995   -1.2051    2.8181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796   -2.7126    1.0905 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0025   -3.6891    0.6584 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548   -0.4810   -1.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0399   -0.0539   -2.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.4066   -0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404    0.7802   -0.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3151    0.6701    0.7406 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8997    0.1769    3.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3221    1.1248    3.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4801   -0.5223    2.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1712    1.8921   -0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9030    3.6317   -3.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5985    2.0107   -3.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6528    2.9435   -2.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4151    1.5483   -4.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3182   -0.1805    0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9859   -0.9615    1.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630   -1.9939   -0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2775   -1.8394    0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2093    0.2503   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538    0.8773    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2211    1.1426    0.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4218   -1.0902    3.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2246   -0.0760    3.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1330   -0.9972    4.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7413    0.7170    4.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3298   -1.4701    2.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3627   -2.8898    3.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985   -2.6138    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0112   -3.3689    0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0862   -0.7909   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0868    0.0745   -2.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8809    3.4697   -2.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0288    2.7864    0.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2766    4.1905   -0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0609    3.5404   -0.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7360    1.6483   -0.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6227    2.3327   -3.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7212    0.9299   -3.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4194   -0.6736   -2.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7499   -0.5201   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6707   -1.8746   -2.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1663   -0.7638    2.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1881   -2.6442    3.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -3.0098    3.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515   -1.3539    3.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8567   -3.1987    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0039   -4.4987    1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052   -0.5741   -2.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3110    0.1850   -3.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9315    0.2615    1.6639 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
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  6  7  1  0
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 39 85  1  1
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 47 93  1  1
 48 94  1  0
 49 95  1  1
 50 96  1  0
 51 97  1  0
 52 98  1  0
M  END


  Mrv1652309092223342D          

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   10.7171   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2881  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    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
    6.4302   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   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 C   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  1  0  0  0  0
  6  7  1  0  0  0  0
  5  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  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  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
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  6  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  6  0  0  0
 41 43  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  1  1  0  0  0
 21 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
 47 48  1  6  0  0  0
 47 49  1  0  0  0  0
 19 49  1  0  0  0  0
 49 50  1  1  0  0  0
 17 51  1  0  0  0  0
 51 52  2  0  0  0  0
 14 52  1  0  0  0  0
 13 53  1  0  0  0  0
 53 54  1  0  0  0  0
  8 54  1  0  0  0  0
 54 55  2  0  0  0  0
  3 55  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0290743

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C2C(=O)C(O)=C(OC2=C1)C1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H44O20/c1-12-21(37)27(43)32(55-34-30(46)25(41)22(38)18(10-36)53-34)35(50-12)49-11-19-23(39)26(42)29(45)33(54-19)51-14-6-4-13(5-7-14)31-28(44)24(40)20-16(48-3)8-15(47-2)9-17(20)52-31/h4-9,12,18-19,21-23,25-27,29-30,32-39,41-46H,10-11H2,1-3H3/t12-,18+,19+,21-,22+,23+,25-,26-,27+,29+,30+,32+,33+,34-,35+/m0/s1

> <INCHI_KEY>
HRMACLKTDXQZNB-VFCYDLCPSA-N

> <FORMULA>
C35H44O20

> <MOLECULAR_WEIGHT>
784.717

> <EXACT_MASS>
784.242593817

> <JCHEM_ACCEPTOR_COUNT>
20

> <JCHEM_ATOM_COUNT>
99

> <JCHEM_AVERAGE_POLARIZABILITY>
76.64557886431456

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one

> <JCHEM_LOGP>
-2.661176520333331

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.870782008934157

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.78459619881121

> <JCHEM_PKA_STRONGEST_BASIC>
-3.64837759575364

> <JCHEM_POLAR_SURFACE_AREA>
302.44

> <JCHEM_REFRACTIVITY>
179.27320000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      17.338 -11.550   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      18.672 -12.320   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.005 -11.550   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      20.005 -14.630   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      17.338 -14.630   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      17.338 -16.170   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      14.670 -14.630   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      16.004 -16.940   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      16.004 -18.480   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      17.338 -19.250   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      18.672 -18.480   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      14.670 -19.250   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      14.670 -20.790   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      13.337 -18.480   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      12.003 -19.250   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      12.003 -16.170   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      12.003 -11.550   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   55                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   54                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   53                                                  
CONECT   14   13   15   52                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   51                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   49                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   45                                                  
CONECT   22   21   23                                                       
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   34                                                       
CONECT   34   33   35   43                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   34   44                                                  
CONECT   44   43                                                            
CONECT   45   21   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   19   50                                                  
CONECT   50   49                                                            
CONECT   51   17   52                                                       
CONECT   52   51   14                                                       
CONECT   53   13   54                                                       
CONECT   54   53    8   55                                                  
CONECT   55   54    3                                                       
MASTER        0    0    0    0    0    0    0    0   55    0  120    0
END

View in JSmol

Synonyms

Value	Source
Kaempferol-5,7-dimethoxy-4'-O-glucopyranosyl-(1-2)-rhamnopyranosyl-(1-6)-glucopyranoside	MeSH

Chemical Formula

C₃₅H₄₄O₂₀

Average Mass

784.7170 Da

Monoisotopic Mass

784.24259 Da

IUPAC Name

2-(4-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxy-4H-chromen-4-one

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C2C(=O)C(O)=C(OC2=C1)C1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1

InChI Identifier

InChI=1S/C35H44O20/c1-12-21(37)27(43)32(55-34-30(46)25(41)22(38)18(10-36)53-34)35(50-12)49-11-19-23(39)26(42)29(45)33(54-19)51-14-6-4-13(5-7-14)31-28(44)24(40)20-16(48-3)8-15(47-2)9-17(20)52-31/h4-9,12,18-19,21-23,25-27,29-30,32-39,41-46H,10-11H2,1-3H3/t12-,18+,19+,21-,22+,23+,25-,26-,27+,29+,30+,32+,33+,34-,35+/m0/s1

InChI Key

HRMACLKTDXQZNB-VFCYDLCPSA-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
Evolvulus alsinoides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid o-glycosides. Flavonoid O-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid O-glycosides

Alternative Parents

Substituents

Oligosaccharide
Flavonoid-4p-o-glycoside
Flavonoid o-glycoside
5-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
3-hydroxyflavone
3-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Fatty acyl glycoside
Alkyl glycoside
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Phenol ether
Anisole
Phenoxy compound
Pyranone
Alkyl aryl ether
Oxane
Pyran
Monocyclic benzene moiety
Benzenoid
Fatty acyl
Vinylogous ester
Heteroaromatic compound
Secondary alcohol
Ether
Polyol
Acetal
Oxacycle
Organoheterocyclic compound
Primary alcohol
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-2.7	ChemAxon
pKa (Strongest Acidic)	8.78	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	20	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	302.44 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	179.27 m³·mol⁻¹	ChemAxon
Polarizability	76.65 Å³	ChemAxon
Number of Rings	6	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

29419239

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71524830

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one (NP0290743)

MOL for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

3D MOL for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

3D SDF for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

3D-SDF for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

PDB for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

3D PDB for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

SMILES for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

INCHI for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

Structure for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)

3D Structure for NP0290743 (2-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)-3-hydroxy-5,7-dimethoxychromen-4-one)