Glucosyringic acid
PubChem CID: 10383888
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| Compound Synonyms | Glucosyringic acid, 33228-65-8, Gluco-syringic acid, 3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid, DTXSID20186870, Benzoic acid, 4-(beta-D-glucopyranosyloxy)-3,5-dimethoxy-, Glucosyringate, 3,5-dimethoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybenzoic acid, CHEMBL5082798, SCHEMBL19806792, DTXCID60109361, EX-A4054, HY-N3953, Syringic acid-4--D-glucopyranoside, AKOS030573575, FS-9763, DA-73777, G89291, 4-(beta-d-glucopyranosyloxy)-3,5-dimethoxybenzoic acid, Syringic acid 4--glucopyranoside, Syringic acid glucoside, 3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid |
|---|---|
| Topological Polar Surface Area | 155.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C15H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BLKMDORKRDACEI-OVKLUEDNSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -1.407 |
| Rotatable Bond Count | 6.0 |
| Logd | -0.469 |
| Compound Name | Glucosyringic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 360.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5595034000000005 |
| Inchi | InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/t9-,10-,11+,12-,15+/m1/s1 |
| Smiles | COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Linaria Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nandina Domestica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Molle (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sageretia Theezans (Plant) Rel Props:Source_db:cmaup_ingredients