Hasubanan-4,6-diol, 7,8-didehydro-3,7,8-trimethoxy-17-methyl-
PubChem CID: 5318028
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| Compound Synonyms | DTXSID601182841, Hasubanan-4,6-diol, 7,8-didehydro-3,7,8-trimethoxy-17-methyl-, 30452-61-0 |
|---|---|
| Topological Polar Surface Area | 71.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 595.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-3,13-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C20H27NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LZOBTQFAAZQLPU-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.272 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.938 |
| Compound Name | Hasubanan-4,6-diol, 7,8-didehydro-3,7,8-trimethoxy-17-methyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 361.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 361.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8915848307692316 |
| Inchi | InChI=1S/C20H27NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,13,22-23H,7-11H2,1-4H3 |
| Smiles | CN1CCC23C1(CCC4=C2C(=C(C=C4)OC)O)C(=C(C(C3)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Hernandiifolia (Plant) Rel Props:Source_db:cmaup_ingredients