(6R,8S)-6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene
PubChem CID: 12016631
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| Topological Polar Surface Area | 36.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,8S)-6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C23H26O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JUEHBQGSIXIHCE-PKOBYXMFSA-N |
| Fcsp3 | 0.391304347826087 |
| Logs | -6.135 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.417 |
| Compound Name | (6R,8S)-6-ethoxy-5-methoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 366.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.011922288888889 |
| Inchi | InChI=1S/C23H26O4/c1-5-25-19-13-17(15-9-7-6-8-10-15)26-20-14-18-16(22(24-4)21(19)20)11-12-23(2,3)27-18/h6-12,14,17,19H,5,13H2,1-4H3/t17-,19+/m0/s1 |
| Smiles | CCO[C@@H]1C[C@H](OC2=C1C(=C3C=CC(OC3=C2)(C)C)OC)C4=CC=CC=C4 |
| 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