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4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde

PubChem CID: 10018247

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Compound Synonyms 4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde, CHEBI:197028, DTXSID001191565, 159733-92-3, 4-[(4-O-Acetyl-6-deoxy-I+/--L-mannopyranosyl)oxy]benzaldehyde, [(2S,3R,4S,5R,6S)-6-(4-ormylphenoxy)-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Topological Polar Surface Area 102.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 391.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name [(2S,3R,4S,5R,6S)-6-(4-formylphenoxy)-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Prediction Hob 1.0
Xlogp 0.3
Molecular Formula C15H18O7
Prediction Swissadme 1.0
Inchi Key YHVJUTOZYWQYSQ-QOWRVZOFSA-N
Fcsp3 0.4666666666666667
Logs -2.955
Rotatable Bond Count 5.0
Logd 0.947
Compound Name 4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde
Prediction Hob Swissadme 1.0
Exact Mass 310.105
Formal Charge 0.0
Monoisotopic Mass 310.105
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 310.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -1.8246905818181822
Inchi InChI=1S/C15H18O7/c1-8-14(21-9(2)17)12(18)13(19)15(20-8)22-11-5-3-10(7-16)4-6-11/h3-8,12-15,18-19H,1-2H3/t8-,12-,13+,14-,15-/m0/s1
Smiles C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C=O)O)O)OC(=O)C
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Excoecaria Acerifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Garrya Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Helipterum Gnaphaloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Laggera Alata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Medinilla Magnifica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Monopteryx Uaucu (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Moringa Oleifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Onobrychis Bobrovii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Petteria Ramentacea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Senecio Cathcartensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Sequoia Sempervirens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Trifolium Strepens (Plant) Rel Props:Source_db:cmaup_ingredients
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