(6S,7S,8R)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-ol
PubChem CID: 11014062
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| Topological Polar Surface Area | 57.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6S,7S,8R)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C22H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GCEYXEPIXWDBIE-SBHAEUEKSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -3.905 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.954 |
| Compound Name | (6S,7S,8R)-5,6-dimethoxy-2,2-dimethyl-8-phenyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.24594868888889 |
| Inchi | InChI=1S/C22H24O5/c1-22(2)11-10-14-15(27-22)12-16-17(20(14)24-3)21(25-4)18(23)19(26-16)13-8-6-5-7-9-13/h5-12,18-19,21,23H,1-4H3/t18-,19-,21+/m1/s1 |
| Smiles | CC1(C=CC2=C(C3=C(C=C2O1)O[C@@H]([C@H]([C@H]3OC)O)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