3-Phenyl-2-propenyl beta-D-glucopyranoside
PubChem CID: 5797782
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| Compound Synonyms | 3-Phenyl-2-propenyl beta-D-glucopyranoside, 69306-80-5, (2E)-3-Phenyl-2-propen-1-yl beta-D-glucopyranoside, SCHEMBL24529121 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Is Pains | False |
| Molecular Formula | C15H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KHPCPRHQVVSZAH-QPJJXVBHSA-N |
| Fcsp3 | 0.4666666666666667 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 3-Phenyl-2-propenyl beta-D-glucopyranoside |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 296.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 296.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.520806371428571 |
| Inchi | InChI=1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+ |
| Smiles | C1=CC=C(C=C1)/C=C/COC2C(C(C(C(O2)CO)O)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Rosea (Plant) Rel Props:Source_db:cmaup_ingredients