4-Allyl-2,6-dimethoxyphenyl glucoside
PubChem CID: 21636226
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| Compound Synonyms | 4-allyl-2,6-dimethoxyphenyl glucoside, 100187-70-0, AKOS040763189, 4-allyl-2,6-dimethoxyphenol-1-O-beta-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4S,5S,6R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C17H24O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GJDGTVUZKDKLQP-GAGVYUBLSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -1.561 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.443 |
| Compound Name | 4-Allyl-2,6-dimethoxyphenyl glucoside |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7651002000000002 |
| Inchi | InChI=1S/C17H24O8/c1-4-5-9-6-10(22-2)16(11(7-9)23-3)25-17-15(21)14(20)13(19)12(8-18)24-17/h4,6-7,12-15,17-21H,1,5,8H2,2-3H3/t12-,13-,14+,15-,17+/m1/s1 |
| Smiles | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)CC=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Verbascum Phlomoides (Plant) Rel Props:Source_db:cmaup_ingredients