Sinensol G
PubChem CID: 11001405
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| Compound Synonyms | Sinensol G, 7-methoxy-3-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol, 372170-94-0 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-3-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C20H22O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCNJIPCUWRSMHU-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -5.52 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.051 |
| Compound Name | Sinensol G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.121423556521739 |
| Inchi | InChI=1S/C20H22O3/c1-12(2)4-5-14-9-17-13(10-18(14)21)6-7-15-8-16(23-3)11-19(22)20(15)17/h4,8-11,21-22H,5-7H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=C2CCC3=C(C2=C1)C(=CC(=C3)OC)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients