(6R,8S)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
PubChem CID: 10247444
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| Topological Polar Surface Area | 36.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,8S)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C22H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GFVVFOVUYZBZJA-FUHWJXTLSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -5.927 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.114 |
| Compound Name | (6R,8S)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 352.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 352.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.770504461538462 |
| Inchi | InChI=1S/C22H24O4/c1-22(2)11-10-15-17(26-22)13-19-20(21(15)24-4)18(23-3)12-16(25-19)14-8-6-5-7-9-14/h5-11,13,16,18H,12H2,1-4H3/t16-,18+/m0/s1 |
| Smiles | CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H](C[C@H]3OC)C4=CC=CC=C4)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients