4,5,10-Trihydroxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15,16-dicarboxylic acid
PubChem CID: 44207410
Connections displayed (default: 10).
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| Topological Polar Surface Area | 145.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 594.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,10-trihydroxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15,16-dicarboxylic acid |
| Prediction Hob | 0.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QOTFGJCGDWMTEX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.801 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.365 |
| Compound Name | 4,5,10-Trihydroxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene-15,16-dicarboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 354.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8530594153846156 |
| Inchi | InChI=1S/C18H10O8/c19-9-2-1-6-3-8(17(22)23)15(18(24)25)14-7-4-10(20)11(21)5-12(7)26-16(9)13(6)14/h1-5,19-21H,(H,22,23)(H,24,25) |
| Smiles | C1=CC(=C2C3=C(C4=CC(=C(C=C4O2)O)O)C(=C(C=C31)C(=O)O)C(=O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Mongolicum (Plant) Rel Props:Source_db:cmaup_ingredients