Dendrocandin D
PubChem CID: 25208516
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dendrocandin D, (S)-3,4,4'-trihydroxy-5-methoxy-alpha-ethoxybibenzyl, CHEBI:65744, 5-[(1S)-1-ethoxy-2-(4-hydroxyphenyl)ethyl]-3-methoxybenzene-1,2-diol, 5-((1S)-1-ethoxy-2-(4-hydroxyphenyl)ethyl)-3-methoxybenzene-1,2-diol, CHEMBL5277050, (S)-3,4,4'-Trihydroxy-5-methoxy-a-ethoxybibenzyl, (S)-3,4,4'-Trihydroxy-5-methoxy-I+--ethoxybibenzyl, Q27134226 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(1S)-1-ethoxy-2-(4-hydroxyphenyl)ethyl]-3-methoxybenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C17H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HVAKNTVYDOBJET-HNNXBMFYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.904 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.808 |
| Compound Name | Dendrocandin D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 304.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 304.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.523756763636364 |
| Inchi | InChI=1S/C17H20O5/c1-3-22-15(8-11-4-6-13(18)7-5-11)12-9-14(19)17(20)16(10-12)21-2/h4-7,9-10,15,18-20H,3,8H2,1-2H3/t15-/m0/s1 |
| Smiles | CCO[C@@H](CC1=CC=C(C=C1)O)C2=CC(=C(C(=C2)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Candidum (Plant) Rel Props:Source_db:cmaup_ingredients