22-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxydocosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID: 11039760
Connections displayed (default: 10).
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| Topological Polar Surface Area | 112.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 50.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 832.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 22-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxydocosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 13.5 |
| Molecular Formula | C42H62O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKPYDKGDBYFMGX-ZUSIYWPSSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -6.03 |
| Rotatable Bond Count | 31.0 |
| Logd | 4.349 |
| Compound Name | 22-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxydocosyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 694.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 694.444 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 694.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -10.785290000000005 |
| Inchi | InChI=1S/C42H62O8/c1-47-39-33-35(23-27-37(39)43)25-29-41(45)49-31-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-32-50-42(46)30-26-36-24-28-38(44)40(34-36)48-2/h23-30,33-34,43-44H,3-22,31-32H2,1-2H3/b29-25-,30-26+ |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C2=CC(=C(C=C2)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients