NP-MRD: Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol (NP0267552)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 12:22:05 UTC

Updated at

2022-09-08 12:22:05 UTC

NP-MRD ID

NP0267552

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Description

STW 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,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol is found in Allium sativum, Rosulabryum capillare, Cajanus cajan, Glycine max, Gossypium hirsutum, Lonicera caerulea, Lupinus mutabilis, Nicotiana tabacum, Olea europaea, Phaseolus lunatus, Pisum sativum, Rehmannia glutinosa, Salacia oblonga, Vigna unguiculata and Xerosicyos danguyi. (2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol was first documented in 2022 (PMID: 36053114). Based on a literature review a small amount of articles have been published on STW (PMID: 35998755) (PMID: 35966833) (PMID: 35931824) (PMID: 35908787).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082214222D          

 45 48  0  0  1  0            999 V2000
   -3.8893   -5.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -4.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400   -4.1712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9949   -3.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275   -2.9017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8795   -2.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6865   -2.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754   -2.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304   -1.5040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8373   -1.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0923   -0.5478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8993   -0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4513   -0.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2583   -0.8179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8103   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6173   -1.2594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1693   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9144   -2.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4664   -3.2702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.2115   -4.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7635   -4.6680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5086   -5.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0606   -6.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5705   -4.4964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.1225   -5.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8254   -3.7118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.6324   -3.5403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2734   -3.0987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5283   -2.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8722   -0.4748    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6792   -0.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3202    0.1383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5751    0.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5132   -0.0332    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9612    0.5799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403    0.0653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7952    0.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.1063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1813    0.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783   -0.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6714   -1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -3.3866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8754   -3.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9150   -4.1712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4300   -4.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  5  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  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
 21 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  1  0  0  0
 16 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  6  0  0  0
 11 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
  9 40  1  0  0  0  0
 40 41  1  1  0  0  0
  5 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
  3 44  1  0  0  0  0
 44 45  1  6  0  0  0
M  END

     RDKit          3D

 87 90  0  0  0  0  0  0  0  0999 V2000
   -4.8035    2.8841   -2.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3880    3.2968   -1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2099    2.1628   -0.7514 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3476    1.1300   -0.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6613    0.5481    0.7122 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8792   -0.2781    0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7946   -1.3038   -0.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5697    0.0435    1.2654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8324   -0.9241    0.6667 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5969   -0.3409    0.3744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5720   -1.2046    0.1451 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6925   -0.6234   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3939   -1.4060   -1.2595 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1128   -0.7587   -2.2657 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3726   -0.3776   -1.8061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329   -1.4584   -1.3922 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4724   -0.8658   -0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244    0.0140    0.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2425    0.6543    0.6490 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0595    2.0118    0.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954    2.8119    0.9981 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4155    2.4176    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3205    3.2475    1.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7362    2.8264    2.4690 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    3.2100    3.2066 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1550    1.5409    2.9904 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7706    1.2814    4.2312 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4340    0.3542    2.0983 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4911   -0.6348    2.4618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969   -2.3417   -2.5852 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0083   -1.5266   -3.5554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789   -2.8418   -3.1296 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4912   -3.6272   -2.1546 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1989   -1.6816   -3.4547 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6670   -0.9646   -4.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9304   -2.6043   -0.2088 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7539   -3.3750   -0.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9458   -3.2208    0.7127 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9525   -3.8003   -0.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5216   -2.1020    1.5694 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6493   -1.7321    2.5748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0744    1.7711    1.5534 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9173    1.3905    2.5762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7217    2.6746    0.5599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1022    2.6566    0.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1673    3.5975   -2.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9969    4.2152   -1.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5496    3.5983   -0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0232    1.9400   -1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7045    0.3938    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2097   -0.6019    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6291   -1.8069   -0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2163   -1.2677   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325   -1.2445    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837   -0.3661   -1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949    0.3494   -0.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    0.2066   -2.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6682   -2.0442   -0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1523   -1.6487   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308   -0.2802   -1.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1269    0.2654    0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448    3.8473    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5450    2.5109   -0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6602    1.3832    0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0633    3.4478    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9694    3.6220    2.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    4.1927    3.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0702    1.6005    3.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5523    0.6636    4.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4202   -0.0731    2.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564   -1.5078    2.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0958   -3.1577   -2.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.1365   -4.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3299   -3.4529   -4.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505   -4.1244   -1.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1604   -2.0089   -3.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -0.1891   -4.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2049   -2.7242   -1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8941   -4.2977   -0.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5274   -3.9851    1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839   -3.3837   -0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4255   -2.5155    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -1.3972    3.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1455    2.2304    1.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4530    0.6992    3.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3733    3.7200    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3065    2.7960    1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 16 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 11 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
  5 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 44  3  1  0
 40  9  1  0
 34 14  1  0
 28 19  1  0
  1 46  1  0
  2 47  1  0
  2 48  1  0
  3 49  1  6
  6 50  1  0
  6 51  1  0
  7 52  1  0
  9 53  1  6
 11 54  1  1
 12 55  1  0
 12 56  1  0
 14 57  1  6
 16 58  1  1
 17 59  1  0
 17 60  1  0
 19 61  1  6
 21 62  1  6
 22 63  1  0
 22 64  1  0
 23 65  1  0
 24 66  1  6
 25 67  1  0
 26 68  1  1
 27 69  1  0
 28 70  1  6
 29 71  1  0
 30 72  1  1
 31 73  1  0
 32 74  1  6
 33 75  1  0
 34 76  1  6
 35 77  1  0
 36 78  1  6
 37 79  1  0
 38 80  1  1
 39 81  1  0
 40 82  1  1
 41 83  1  0
 42 84  1  1
 43 85  1  0
 44 86  1  1
 45 87  1  0
M  END


  Mrv1652309082214222D          

 45 48  0  0  1  0            999 V2000
   -3.8893   -5.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -4.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400   -4.1712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9949   -3.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275   -2.9017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8795   -2.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6865   -2.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754   -2.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0304   -1.5040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8373   -1.3324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0923   -0.5478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8993   -0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4513   -0.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2583   -0.8179    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.8103   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6173   -1.2594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.1693   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9144   -2.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4664   -3.2702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.2115   -4.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7635   -4.6680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5086   -5.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0606   -6.0657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5705   -4.4964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.1225   -5.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8254   -3.7118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.6324   -3.5403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2734   -3.0987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.5283   -2.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8722   -0.4748    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.6792   -0.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3202    0.1383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5751    0.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5132   -0.0332    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9612    0.5799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403    0.0653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7952    0.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333   -0.1063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1813    0.5068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4783   -0.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6714   -1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -3.3866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8754   -3.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9150   -4.1712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4300   -4.8387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  5  8  1  1  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 14 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  6  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  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
 21 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  1  0  0  0
 16 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  6  0  0  0
 11 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
  9 40  1  0  0  0  0
 40 41  1  1  0  0  0
  5 42  1  0  0  0  0
 42 43  1  6  0  0  0
 42 44  1  0  0  0  0
  3 44  1  0  0  0  0
 44 45  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0267552

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16+,17-,18+,19-,20-,21+,22+,23-,24+/m1/s1

> <INCHI_KEY>
UQZIYBXSHAGNOE-JWLFEUNLSA-N

> <FORMULA>
C24H42O21

> <MOLECULAR_WEIGHT>
666.579

> <EXACT_MASS>
666.221858372

> <JCHEM_ACCEPTOR_COUNT>
21

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
60.74679120719101

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-8.070506255

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.050654679135956

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.625796316968836

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6786130721304886

> <JCHEM_POLAR_SURFACE_AREA>
347.83000000000004

> <JCHEM_REFRACTIVITY>
133.60070000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  O   UNK     0      -7.260 -10.439   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -7.886  -9.032   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.981  -7.786   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -7.457  -6.322   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -6.211  -5.416   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.242  -4.272   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -8.748  -4.592   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -5.181  -4.272   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.657  -2.807   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -7.163  -2.487   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -7.639  -1.023   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.145  -0.702   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -10.176  -1.847   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0     -11.682  -1.527   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -12.713  -2.671   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -14.219  -2.351   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -15.249  -3.495   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0     -14.773  -4.960   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0     -15.804  -6.104   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0     -15.328  -7.569   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0     -16.359  -8.714   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -15.883 -10.178   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -16.913 -11.323   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0     -17.865  -8.393   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0     -18.895  -9.538   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0     -18.341  -6.929   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0     -19.847  -6.609   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0     -17.310  -5.784   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0     -17.786  -4.320   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0     -14.695  -0.886   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -16.201  -0.566   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0     -13.664   0.258   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0     -14.140   1.723   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -12.158  -0.062   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -11.128   1.082   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -6.608   0.122   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -7.084   1.586   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -5.102  -0.198   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.072   0.946   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -4.626  -1.663   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -3.120  -1.983   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -4.965  -6.322   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -3.501  -5.846   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -5.441  -7.786   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -4.536  -9.032   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   44                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8   42                                             
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10   40                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   36                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   34                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   30                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   19   29                                                  
CONECT   29   28                                                            
CONECT   30   16   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   14   35                                                  
CONECT   35   34                                                            
CONECT   36   11   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38    9   41                                                  
CONECT   41   40                                                            
CONECT   42    5   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42    3   45                                                  
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₄₂O₂₁

Average Mass

666.5790 Da

Monoisotopic Mass

666.22186 Da

IUPAC Name

(2R,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15-,16+,17-,18+,19-,20-,21+,22+,23-,24+/m1/s1

InChI Key

UQZIYBXSHAGNOE-JWLFEUNLSA-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
Allium sativum	LOTUS Database	35616633
Bryum capillare	LOTUS Database	35616633
Cajanus cajan	LOTUS Database	35616633
Glycine max	LOTUS Database	35616633
Gossypium hirsutum	LOTUS Database	35616633
Lonicera caerulea	LOTUS Database	35616633
Lupinus mutabilis	LOTUS Database	35616633
Nicotiana tabacum	LOTUS Database	35616633
Olea europaea	LOTUS Database	35616633
Phaseolus lunatus	LOTUS Database	35616633
Pisum sativum	LOTUS Database	35616633
Rehmannia glutinosa	LOTUS Database	35616633
Salacia oblonga	LOTUS Database	35616633
Vigna unguiculata	LOTUS Database	35616633
Xerosicyos danguyi	LOTUS Database	35616633

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
O-glycosyl compound
Glycosyl compound
C-glycosyl compound
Ketal
Oxane
Tetrahydrofuran
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-8.1	ChemAxon
pKa (Strongest Acidic)	11.63	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	21	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	347.83 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	133.6 m³·mol⁻¹	ChemAxon
Polarizability	60.75 Å³	ChemAxon
Number of Rings	4	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

C00001799

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

STW

METLIN ID

Not Available

PubChem Compound

132990894

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Rini CJ, Roberts BC, Vaidyanathan A, Li A, Klug R, Sherman DB, Pettis RJ: Enabling faster subcutaneous delivery of larger volume, high viscosity fluids. Expert Opin Drug Deliv. 2022 Sep;19(9):1165-1176. doi: 10.1080/17425247.2022.2116425. Epub 2022 Sep 2. [PubMed:36053114 ]
Michael R, Bettina V, Eckehard L: Functional gastrointestinal disorders in children: Effectivity, safety, and tolerability of the herbal preparation STW-5 (Iberogast(R)) in general practice. Complement Ther Med. 2022 Dec;71:102873. doi: 10.1016/j.ctim.2022.102873. Epub 2022 Aug 23. [PubMed:35998755 ]
Herzog-Stein A, Nuss P, Peede L, Stein U: Germany and the United States in coronavirus distress: internal versus external labour market flexibility. J Labour Mark Res. 2022;56(1):11. doi: 10.1186/s12651-022-00316-5. Epub 2022 Aug 10. [PubMed:35966833 ]
Wojciechowski T, Bartoszewicz R, Szopinski K: Sinus tympani revisited for planning retrofacial approach-radiologic study in pneumatized temporal bones and its surgical implications. Eur Arch Otorhinolaryngol. 2023 Mar;280(3):1089-1099. doi: 10.1007/s00405-022-07576-4. Epub 2022 Aug 5. [PubMed:35931824 ]
Rudolph TE, Roach CM, Baumgard LH, Ross JW, Keating AF, Selsby JT: The impact of Zearalenone on heat-stressed skeletal muscle in pigs. J Anim Sci. 2022 Aug 1;100(8):skac215. doi: 10.1093/jas/skac215. [PubMed:35908787 ]
LOTUS database [Link]

Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol (NP0267552)

MOL for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D MOL for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D SDF for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D-SDF for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

PDB for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D PDB for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

SMILES for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

INCHI for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

Structure for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)

3D Structure for NP0267552 ((2r,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-({[(2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol)