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L-Xyl(a1-6)Gul(a1-4)a-Gul

PubChem CID: 163083857

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Topological Polar Surface Area 248.0
Hydrogen Bond Donor Count 10.0
Heavy Atom Count 32.0
Isotope Atom Count 0.0
Molecular Complexity 596.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 14.0
Iupac Name (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2,3,4-triol
Prediction Hob 0.0
Xlogp -6.8
Molecular Formula C17H30O15
Prediction Swissadme 0.0
Inchi Key BSCUNSVAACYEAI-ZUSAUGBTSA-N
Fcsp3 1.0
Logs -0.917
Rotatable Bond Count 6.0
Logd -3.328
Compound Name L-Xyl(a1-6)Gul(a1-4)a-Gul
Prediction Hob Swissadme 0.0
Exact Mass 474.158
Formal Charge 0.0
Monoisotopic Mass 474.158
Hydrogen Bond Acceptor Count 15.0
Molecular Weight 474.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 14.0
Total Bond Stereocenter Count 0.0
Esol 1.9049455999999996
Inchi InChI=1S/C17H30O15/c18-1-5-14(10(23)11(24)15(27)30-5)32-17-13(26)9(22)8(21)6(31-17)3-29-16-12(25)7(20)4(19)2-28-16/h4-27H,1-3H2/t4-,5+,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16-,17+/m0/s1
Smiles C1[C@@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)O[C@H]3[C@H](O[C@@H]([C@@H]([C@@H]3O)O)O)CO)O)O)O)O)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Amentotaxus Argotaenia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Castanea Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Cressa Cretica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Eria Linearifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Parkia Clappertoniana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Pericopsis Angolensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Pinus Banksiana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Polypodiodes Niponica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Scutia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients
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