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[(2S,3R)-3-(3,10-dimethoxy-6-oxobenzo[c]chromen-9-yl)oxy-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]methyl acetate

PubChem CID: 162868390

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Topological Polar Surface Area 108.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 38.0
Isotope Atom Count 0.0
Molecular Complexity 836.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name [(2S,3R)-3-(3,10-dimethoxy-6-oxobenzo[c]chromen-9-yl)oxy-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]methyl acetate
Prediction Hob 1.0
Xlogp 4.1
Molecular Formula C28H26O10
Prediction Swissadme 0.0
Inchi Key UKZAFTFBOXNLCB-AZGAKELHSA-N
Fcsp3 0.2857142857142857
Logs -6.641
Rotatable Bond Count 9.0
Logd 3.224
Compound Name [(2S,3R)-3-(3,10-dimethoxy-6-oxobenzo[c]chromen-9-yl)oxy-5,6-dimethoxy-2,3-dihydro-1-benzofuran-2-yl]methyl acetate
Prediction Hob Swissadme 0.0
Exact Mass 522.153
Formal Charge 0.0
Monoisotopic Mass 522.153
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 522.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -5.766710884210527
Inchi InChI=1S/C28H26O10/c1-14(29)35-13-24-26(18-11-22(32-3)23(33-4)12-21(18)36-24)37-19-9-8-17-25(27(19)34-5)16-7-6-15(31-2)10-20(16)38-28(17)30/h6-12,24,26H,13H2,1-5H3/t24-,26+/m0/s1
Smiles CC(=O)OC[C@H]1[C@@H](C2=CC(=C(C=C2O1)OC)OC)OC3=C(C4=C(C=C3)C(=O)OC5=C4C=CC(=C5)OC)OC
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Acacia Mearnsii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Incanescens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Cyperus Papyrus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Dimorphotheca Aurantiaca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Fagus Grandifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Ichthyothere Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Lachnophyllum Gossypinum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Mitragyna Inermis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Neorautanenia Ficifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Othonna Dentata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Perriera Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Pseudofumaria Lutea (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Pteris Cretica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Sabal Blackburniana (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Scrophularia Umbrosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Solanum Sublobatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Strychnos Erichsonii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Swertia Pseudochinensis (Plant) Rel Props:Source_db:cmaup_ingredients
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