2-(Hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethenyl]-6-phenoxyoxane-3,4,4,5-tetrol
PubChem CID: 53395072
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| Topological Polar Surface Area | 140.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethenyl]-6-phenoxyoxane-3,4,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | 0.6 |
| Molecular Formula | C20H22O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOTTYYVZHHDJME-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.724 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.023 |
| Compound Name | 2-(Hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethenyl]-6-phenoxyoxane-3,4,4,5-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 390.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6066484571428576 |
| Inchi | InChI=1S/C20H22O8/c21-12-19(11-10-13-6-8-14(22)9-7-13)18(24)20(25,26)16(23)17(28-19)27-15-4-2-1-3-5-15/h1-11,16-18,21-26H,12H2 |
| Smiles | C1=CC=C(C=C1)OC2C(C(C(C(O2)(CO)C=CC3=CC=C(C=C3)O)O)(O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients