CID 44605531
PubChem CID: 44605531
Connections displayed (default: 10).
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| Topological Polar Surface Area | 124.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 704.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7,14-trihydroxy-16-oxo-5-oxapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),6,8,10,12,14,17-octaene-4-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C20H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XVJPOZBUOYPLTL-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -4.368 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.06 |
| Compound Name | CID 44605531 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 364.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.394619503703705 |
| Inchi | InChI=1S/C20H12O7/c21-12-4-1-8-9-3-6-14(23)18-16(9)11(7-20(26,27-18)19(24)25)10-2-5-13(22)17(12)15(8)10/h1-6,21,23,26H,7H2,(H,24,25) |
| Smiles | C1C2=C3C(=C4C=CC(=C5C4=C2C=CC5=O)O)C=CC(=C3OC1(C(=O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sonneratia Alba (Plant) Rel Props:Source_db:cmaup_ingredients