2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol
PubChem CID: 24728707
Connections displayed (default: 10).
Loading graph...
| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 179.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Inchi Key | KKYVJLVDACPFAE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 7.0 |
| Heavy Atom Count | 26.0 |
| Compound Name | 2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 384.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.163 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 384.38 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]oxane-3,4,5-triol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | 1.0045563999999996 |
| Inchi | InChI=1S/C15H28O11/c1-23-3-7-11(18)15(22)13(20)9(26-7)5-24-4-8-12(19)14(21)10(17)6(2-16)25-8/h6-22H,2-5H2,1H3 |
| Smiles | COCC1C(C(C(C(O1)COCC2C(C(C(C(O2)CO)O)O)O)O)O)O |
| Xlogp | -4.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H28O11 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gerbera Jamesonii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Prunus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Prunus Salicina (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Sorbus Tianschanica (Plant) Rel Props:Source_db:cmaup_ingredients