Diacetoxy-6-gingerdiol
PubChem CID: 57341725
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| Compound Synonyms | Diacetoxy-6-gingerdiol, 143615-75-2, [(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate, (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate, ((3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl) acetate, SCHEMBL23370749, DTXSID801314313, AKOS040760369, DA-72728, MS-26228, HY-133865, CS-0134522, E88752, (3r,5s)-3,5-diacetoxy-1-(4-hydroxy-3-methoxyphenyl)decane, (3R,5S)-3-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl acetate |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(3R,5S)-3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C21H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PXBFKEHWQRAQQD-RBUKOAKNSA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -4.06 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.541 |
| Compound Name | Diacetoxy-6-gingerdiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 380.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.438226644444445 |
| Inchi | InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3/t18-,19+/m0/s1 |
| Smiles | CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients