5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-hydroxy-3-methylbutyl)chromen-4-one
PubChem CID: 5318851
Connections displayed (default: 10).
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| Topological Polar Surface Area | 116.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 785.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-hydroxy-3-methylbutyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C25H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KGYHISLEEHDLNF-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.209 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.924 |
| Compound Name | 5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-hydroxy-3-methylbutyl)chromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 438.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.775051200000001 |
| Inchi | InChI=1S/C25H26O7/c1-24(2,30)7-6-14-17(26)11-20-21(22(14)28)23(29)16(12-31-20)15-9-13-5-8-25(3,4)32-19(13)10-18(15)27/h5,8-12,26-28,30H,6-7H2,1-4H3 |
| Smiles | CC1(C=CC2=CC(=C(C=C2O1)O)C3=COC4=C(C3=O)C(=C(C(=C4)O)CCC(C)(C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriosema Kraussianum (Plant) Rel Props:Source_db:cmaup_ingredients