6-Methyl-2,4-dihydroxyphenyl 4-o-methyl-beta-d-glucopyranoside
PubChem CID: 10064329
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| Compound Synonyms | 6-methyl-2,4-dihydroxyphenyl 4-o-methyl-beta-d-glucopyranoside, CHEBI:215795, (2S,3R,4R,5S,6R)-2-(2,4-dihydroxy-6-methylphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
|---|---|
| Topological Polar Surface Area | 129.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4R,5S,6R)-2-(2,4-dihydroxy-6-methylphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
| Prediction Hob | 0.0 |
| Xlogp | -0.6 |
| Molecular Formula | C14H20O8 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DMFUBFCYYQLVDQ-XMKDAVRRSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -0.15 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.55 |
| Compound Name | 6-Methyl-2,4-dihydroxyphenyl 4-o-methyl-beta-d-glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3609153818181816 |
| Inchi | InChI=1S/C14H20O8/c1-6-3-7(16)4-8(17)12(6)22-14-11(19)10(18)13(20-2)9(5-15)21-14/h3-4,9-11,13-19H,5H2,1-2H3/t9-,10-,11-,13-,14+/m1/s1 |
| Smiles | CC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Source_db:cmaup_ingredients