Sequosempervirin F
PubChem CID: 70698264
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| Compound Synonyms | Sequosempervirin F, CHEBI:69977, Q27138322 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,4S,6R)-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)oxan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OSCHVWVCQJBFNN-USXIJHARSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.92 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.51 |
| Compound Name | Sequosempervirin F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3313755565217393 |
| Inchi | InChI=1S/C18H20O5/c1-22-18-8-12(4-7-15(18)20)14-9-17(23-10-16(14)21)11-2-5-13(19)6-3-11/h2-8,14,16-17,19-21H,9-10H2,1H3/t14-,16+,17+/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)[C@@H]2C[C@@H](OC[C@H]2O)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Metasequoia Glyptostroboides (Plant) Rel Props:Source_db:cmaup_ingredients