(4S)-3-[(4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol
PubChem CID: 102062197
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| Topological Polar Surface Area | 77.4 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4S)-3-[(4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C20H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LYWCCZPPJCEHSB-BIUPVWIKSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.909 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.933 |
| Compound Name | (4S)-3-[(4R)-6-hydroxy-4-methoxy-3,4-dihydro-2H-chromen-3-yl]-4-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 358.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 358.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6419564615384616 |
| Inchi | InChI=1S/C20H22O6/c1-23-19-13-7-11(21)3-5-17(13)25-9-15(19)16-10-26-18-6-4-12(22)8-14(18)20(16)24-2/h3-8,15-16,19-22H,9-10H2,1-2H3/t15?,16?,19-,20+ |
| Smiles | CO[C@@H]1C(COC2=C1C=C(C=C2)O)C3COC4=C([C@H]3OC)C=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients