4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE
PubChem CID: 44390556
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| Compound Synonyms | 64703-98-6, 4-(2-Propenyl)phenyl-beta-d-glucopyranoside, FEMA No. 4548, Chavicol beta-d-glucoside, 4FNB38KJGB, beta-D-Glucopyranoside, 4-(2-propen-1-yl)phenyl, UNII-4FNB38KJGB, p-Allylphenyl beta-d-glucopyranoside, beta-D-Glucopyranoside, 4-(2-propenyl)phenyl, Chavicol, A-D-glucoside, (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol, DTXSID00215036, CHAVICOL .BETA.-D-GLUCOSIDE, P-ALLYLPHENYL .BETA.-D-GLUCOPYRANOSIDE, 4-ALLYLPHENYL .BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPENYL)PHENYL-.BETA.-D-GLUCOPYRANOSIDE, .BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPENYL)PHENYL, .BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPEN-1-YL)PHENYL, chavicol-4-o-b-D-glucopyranoside, Chavicol beta-D-glucopyranoside, Compound NP-022501, CHEMBL179783, SCHEMBL5027443, DTXCID00137527, HY-N12095, AKOS040737696, DA-49646, 4-ALLYLPHENYL BETA-D-GLUCOPYRANOSIDE, CHAVICOL 1-O-BETA-D-GLUCOPYRANOSIDE, CS-0891669, G88988, 4-(2-propenyl)phenyl-beta-dextro-glucopyranoside, Q27259529, 2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-(4-allylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BGWWYZXBGAKMRB-UXXRCYHCSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -3.748 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.789 |
| Compound Name | 4-(2-PROPENYL)PHENYL-beta-D-GLUCOPYRANOSIDE |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.126 |
| Formal Charge | 0.0 |
| 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 | 0.0 |
| Esol | -1.905106371428571 |
| Inchi | InChI=1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2/t11-,12-,13+,14-,15-/m1/s1 |
| Smiles | C=CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agastache Rugosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cleidion Brevipetiolatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all