Glyasperin H
PubChem CID: 44592902
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| Compound Synonyms | GLYASPERIN H, 3-((3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano(2,3-f)chromen-3-yl)-2,6-dimethoxyphenol, 3-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,6-dimethoxyphenol, CHEMBL498725, 145382-63-4 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 547.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 3-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C22H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KCINTAABQWLKML-AWEZNQCLSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.576 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.242 |
| Compound Name | Glyasperin H |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.894848688888889 |
| Inchi | InChI=1S/C22H24O5/c1-22(2)10-9-16-17(27-22)7-5-13-11-14(12-26-20(13)16)15-6-8-18(24-3)19(23)21(15)25-4/h5-10,14,23H,11-12H2,1-4H3/t14-/m0/s1 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2OC[C@H](C3)C4=C(C(=C(C=C4)OC)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Smirnowia Iranica (Plant) Rel Props:Source_db:npass_chem_all