1,2-Diferuloyl-sn-glycerol
PubChem CID: 76967301
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| Compound Synonyms | 1,2-diferuloyl-sn-glycerol |
|---|---|
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 647.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2S)-3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C23H24O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNKCXGPZQKICLI-WDQMDIHESA-N |
| Fcsp3 | 0.217391304347826 |
| Logs | -3.319 |
| Rotatable Bond Count | 12.0 |
| Logd | 1.097 |
| Compound Name | 1,2-Diferuloyl-sn-glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 444.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 444.142 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 444.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.838703200000001 |
| Inchi | InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-14-17(13-24)32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+/t17-/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@H](CO)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyclamen Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients