Cowagarcinone D
PubChem CID: 101741108
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| Compound Synonyms | Cowagarcinone D |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 853.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9,11-trihydroxy-3-methyl-10-(3-methylbut-2-enyl)-3-(4-methylpent-3-enyl)pyrano[3,2-a]xanthen-12-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.2 |
| Molecular Formula | C28H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QAHKVGNDCXMIJR-UHFFFAOYSA-N |
| Fcsp3 | 0.3214285714285714 |
| Logs | -2.469 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.965 |
| Compound Name | Cowagarcinone D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 462.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 462.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 462.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.590166282352943 |
| Inchi | InChI=1S/C28H30O6/c1-15(2)7-6-11-28(5)12-10-18-23-21(14-20(30)27(18)34-28)33-22-13-19(29)17(9-8-16(3)4)25(31)24(22)26(23)32/h7-8,10,12-14,29-31H,6,9,11H2,1-5H3 |
| Smiles | CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients