Patriridoside F
PubChem CID: 71454805
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| Compound Synonyms | Patriridoside F, (2S,3R,4S,5S,6R)-2-(((3S,4S,4aS,6S,7S,7aR)-3,6-dihydroxy-4,7-dimethyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta(c)pyran-7-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-[[(3S,4S,4aS,6S,7S,7aR)-3,6-dihydroxy-4,7-dimethyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol, CHEMBL2152444 |
|---|---|
| Topological Polar Surface Area | 149.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2S,3R,4S,5S,6R)-2-[[(3S,4S,4aS,6S,7S,7aR)-3,6-dihydroxy-4,7-dimethyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -1.9 |
| Molecular Formula | C16H28O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFDACTUETOBZBZ-SLEJCULNSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.894 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.487 |
| Compound Name | Patriridoside F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.173 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 364.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7231242000000002 |
| Inchi | InChI=1S/C16H28O9/c1-6-7-3-10(18)16(2,8(7)5-23-14(6)22)25-15-13(21)12(20)11(19)9(4-17)24-15/h6-15,17-22H,3-5H2,1-2H3/t6-,7+,8-,9+,10-,11+,12-,13+,14-,15-,16-/m0/s1 |
| Smiles | C[C@H]1[C@H]2C[C@@H]([C@@]([C@H]2CO[C@@H]1O)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dicksonia Scabra (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Gentiana Scabra (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Guizotia Scabra (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Mosla Scabra (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Patrinia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Richardia Scabra (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Trinia Scabra (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Zehneria Scabra (Plant) Rel Props:Reference: