Sanggenol O
PubChem CID: 42608050
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sanggenol O, (2S)-5,7-Dihydroxy-bis(6'',6''-dimethylpyrano[2'',3'':2',3'][2'',3'':4',5']flavanone, 426211-27-0, (2S)-5,7-dihydroxy-2-(2,2,8,8-tetramethylpyrano(2,3-f)chromen-6-yl)-2,3-dihydrochromen-4-one, (2S)-5,7-dihydroxy-2-(2,2,8,8-tetramethylpyrano[2,3-f]chromen-6-yl)-2,3-dihydrochromen-4-one, CHEBI:178575, HY-N9966, LMPK12140524, CS-0227026, (2S)-5,7-dihydroxy-2-(2,2,8,8-tetramethylpyrano[2,3-]chromen-6-yl)-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 785.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-2-(2,2,8,8-tetramethylpyrano[2,3-f]chromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NJVSYIMNJLJFLD-IBGZPJMESA-N |
| Fcsp3 | 0.32 |
| Logs | -7.121 |
| Rotatable Bond Count | 1.0 |
| Logd | 6.185 |
| Compound Name | Sanggenol O |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 420.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.559009812903226 |
| Inchi | InChI=1S/C25H24O6/c1-24(2)7-5-13-9-16(23-15(22(13)30-24)6-8-25(3,4)31-23)19-12-18(28)21-17(27)10-14(26)11-20(21)29-19/h5-11,19,26-27H,12H2,1-4H3/t19-/m0/s1 |
| Smiles | CC1(C=CC2=CC(=C3C(=C2O1)C=CC(O3)(C)C)[C@@H]4CC(=O)C5=C(C=C(C=C5O4)O)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients