Sanggenone H
PubChem CID: 90681446
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sanggenone H, 86450-80-8, (2S)-5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one, SanggenoneH, CHEMBL3288838, HY-N2607, AKOS037515247, FS-7138, DA-67398, CS-0023010 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 587.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPAKXSCQEJXHSW-INIZCTEOSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.126 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.6 |
| Compound Name | Sanggenone H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.479758061538462 |
| Inchi | InChI=1S/C20H18O6/c1-20(2)6-5-11-13(22)4-3-12(19(11)26-20)16-9-15(24)18-14(23)7-10(21)8-17(18)25-16/h3-8,16,21-23H,9H2,1-2H3/t16-/m0/s1 |
| Smiles | CC1(C=CC2=C(C=CC(=C2O1)[C@@H]3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all