Resveratrol 12-C-beta-glucopyranoside
PubChem CID: 101011049
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| Compound Synonyms | Resveratrol 12-C-beta-glucopyranoside |
|---|---|
| Topological Polar Surface Area | 151.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3R,4R,5S,6R)-2-[2,6-dihydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | 0.7 |
| Molecular Formula | C20H22O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URWNDISGXOTRRK-JIVMRSFOSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.198 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.522 |
| Compound Name | Resveratrol 12-C-beta-glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 390.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.7293484571428572 |
| Inchi | InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-13(23)7-11(8-14(16)24)2-1-10-3-5-12(22)6-4-10/h1-8,15,17-27H,9H2/b2-1+/t15-,17-,18+,19-,20+/m1/s1 |
| Smiles | C1=CC(=CC=C1/C=C/C2=CC(=C(C(=C2)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ilex Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients