NP-MRD: Showing NP-Card for 5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate (NP0238040)

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Record Information

Version

2.0

Created at

2022-09-06 21:21:17 UTC

Updated at

2022-09-06 21:21:17 UTC

NP-MRD ID

NP0238040

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate

Description

5-Hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate 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. 5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate is found in Androsace umbellata. 5-Hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201502342D          

 55 60  0  0  0  0            999 V2000
   -1.4289    0.8250    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
   -0.7145   -0.4125    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
    0.0000   -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   -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
    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
    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
    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
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    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
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  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    3.3000    0.0000 C   0  0  0  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    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 O   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    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    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
   -1.4289   -2.4750    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
   -2.8579   -1.6500    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 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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 18 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  1  0  0  0  0
 32 45  1  0  0  0  0
 26 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
  4 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
  2 54  1  0  0  0  0
 54 55  1  0  0  0  0
M  END

     RDKit          3D

 97102  0  0  0  0  0  0  0  0999 V2000
   -4.3013   -0.0120    3.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315    0.6242    2.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259    1.8543    2.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5466   -0.1063    1.5188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0093    0.4857    0.3526 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6435   -0.0043    0.0833 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6051    0.5251    0.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032    0.2435    0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -0.7526    1.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648   -1.7170    2.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920   -2.8261    2.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0610   -3.7663    3.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1880   -3.6020    4.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745   -4.5880    5.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9176   -2.4970    3.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4659   -1.5402    2.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716   -0.9075    1.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252   -0.1866    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898   -0.4450    0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5546    0.3375   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8928    0.1007   -0.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6361   -0.9673   -0.2006 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4593   -1.3898   -1.2634 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1775   -0.2982   -1.7726 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8751   -0.7426   -3.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2608    0.0997   -0.7684 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1478    1.4583   -0.5210 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0075   -0.6429    0.5349 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8771   -0.2729    1.5407 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5440   -0.5241    0.9261 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3076    0.8296    1.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316    1.3898   -1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5898    1.6453   -1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124    2.6911   -1.7617 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8058    0.8539   -0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    1.0719   -0.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993    2.0270   -0.7038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2546    0.2850   -1.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -0.5476   -2.1076 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4034   -0.3774   -3.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3917    0.0235   -2.1347 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3010    1.0869   -3.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9355    0.4690   -0.8047 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1387   -0.1429   -0.6197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2876    0.5445   -0.7535 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9858    0.7869    0.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8499    1.8446    0.2333 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.3322    2.5316    1.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2857    3.0804    2.2130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9948    1.4330   -0.6495 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2570    2.3191   -1.6778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6684    0.0961   -1.2405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5732   -0.2872   -2.2320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2506    0.1074   -1.7855 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2811    0.9150   -2.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2902   -0.4943    3.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6569   -0.8005    4.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4483    0.7075    4.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463    1.5764    0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -1.1001    0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646   -2.9911    2.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -4.6459    3.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910   -5.4107    4.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867   -2.3442    4.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649   -0.6733    2.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858   -1.2768    0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9550   -1.7832    0.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4804    0.5201   -1.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337   -1.6496   -3.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8884    0.0906   -3.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9628   -0.9636   -2.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706   -0.1391   -1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9506    1.9890   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2057   -1.7319    0.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7644   -0.9739    2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3433   -1.0818    1.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8544    0.9245    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    2.0121   -1.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5811    3.2848   -2.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -1.6038   -1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0541    0.6735   -3.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2065   -0.5430   -4.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203   -1.0336   -3.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1139   -0.6899   -2.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7891    0.9263   -3.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2183    1.5456   -0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9719    1.5732   -1.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2653    2.6202   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9220    3.4238    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0067    1.9508    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6585    3.5960    1.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9170    1.2903   -0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2319    2.4473   -1.7416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7433   -0.6961   -0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3799   -0.7350   -1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1073   -0.9181   -2.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7431    0.5109   -3.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 24  1  0
 24 23  1  0
 23 22  1  0
 22 21  1  0
 21 20  1  0
 20 32  2  0
 32 33  1  0
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 24 68  1  6
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 32 78  1  0
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 11 61  1  0
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  6 60  1  6
 39 80  1  1
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 40 82  1  0
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 41 84  1  6
 42 85  1  0
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 48 89  1  0
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 50 92  1  1
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 52 94  1  1
 53 95  1  0
 54 96  1  6
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  1 56  1  0
  1 57  1  0
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 19 66  1  0
 30 76  1  1
 31 77  1  0
 28 74  1  6
 29 75  1  0
 26 72  1  6
 27 73  1  0
M  END


  Mrv1533004201502342D          

 55 60  0  0  0  0            999 V2000
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   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    3.5724   -1.2375    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
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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    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
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  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    3.3000    0.0000 C   0  0  0  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    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 O   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    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    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
   -1.4289   -2.4750    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
   -2.8579   -1.6500    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 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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 18 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 34 43  1  0  0  0  0
 43 44  1  0  0  0  0
 32 45  1  0  0  0  0
 26 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 47 49  1  0  0  0  0
  4 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
  2 54  1  0  0  0  0
 54 55  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0238040

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC(C)=O)C3=O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C35H42O20/c1-11-21(40)25(44)27(46)33(48-11)51-16-8-17(39)20-18(9-16)52-29(14-4-6-15(38)7-5-14)31(24(20)43)55-35-32(50-13(3)37)30(22(41)12(2)49-35)54-34-28(47)26(45)23(42)19(10-36)53-34/h4-9,11-12,19,21-23,25-28,30,32-36,38-42,44-47H,10H2,1-3H3

> <INCHI_KEY>
CZVHVLUBLQNXNA-UHFFFAOYSA-N

> <FORMULA>
C35H42O20

> <MOLECULAR_WEIGHT>
782.701

> <EXACT_MASS>
782.226943752

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
75.52924054772484

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate

> <ALOGPS_LOGP>
0.34

> <JCHEM_LOGP>
-1.3452283696666645

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.556775491925116

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.083347176972572

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6197911845054707

> <JCHEM_POLAR_SURFACE_AREA>
310.28

> <JCHEM_REFRACTIVITY>
177.91640000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.336   6.930   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.002  10.780   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      10.669  10.780   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      13.337   9.240   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      13.337   6.160   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      -4.001  -2.310   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  -0.770   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -5.335  -0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   54                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   50                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   16                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   25                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15   10   17                                                  
CONECT   17   16    6                                                       
CONECT   18   14   19   24                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   18                                                       
CONECT   25   13   26                                                       
CONECT   26   25   27   45                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   45                                                  
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   32   26   46                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50    4   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52    2   55                                                  
CONECT   55   54                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  120    0
END

View in JSmol

Synonyms

Value	Source
5-Hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetic acid	Generator

Chemical Formula

C₃₅H₄₂O₂₀

Average Mass

782.7010 Da

Monoisotopic Mass

782.22694 Da

IUPAC Name

5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate

Traditional Name

5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate

CAS Registry Number

Not Available

SMILES

CC1OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(C)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4OC(C)=O)C3=O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C35H42O20/c1-11-21(40)25(44)27(46)33(48-11)51-16-8-17(39)20-18(9-16)52-29(14-4-6-15(38)7-5-14)31(24(20)43)55-35-32(50-13(3)37)30(22(41)12(2)49-35)54-34-28(47)26(45)23(42)19(10-36)53-34/h4-9,11-12,19,21-23,25-28,30,32-36,38-42,44-47H,10H2,1-3H3

InChI Key

CZVHVLUBLQNXNA-UHFFFAOYSA-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
Androsace umbellata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Flavonoid-7-o-glycoside
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
4'-hydroxyflavonoid
Phenolic glycoside
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Phenol
Pyranone
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Oxane
Pyran
Heteroaromatic compound
Vinylogous acid
Carboxylic acid ester
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Monocarboxylic acid or derivatives
Organooxygen compound
Primary alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	0.34	ALOGPS
logP	-1.3	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	7.08	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	310.28 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	177.92 m³·mol⁻¹	ChemAxon
Polarizability	75.53 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

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

Not Available

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-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate (NP0238040)

MOL for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

3D MOL for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

3D SDF for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

3D-SDF for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

PDB for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

3D PDB for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

SMILES for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

INCHI for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

Structure for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)

3D Structure for NP0238040 (5-hydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate)