Gal(b1-2)aldehydo-Rib
PubChem CID: 162902787
Connections displayed (default: 10).
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| Topological Polar Surface Area | 177.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanal |
| Prediction Hob | 0.0 |
| Xlogp | -4.4 |
| Molecular Formula | C11H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXHPKHDTOXXPGU-URRAVXEXSA-N |
| Fcsp3 | 0.9090909090909092 |
| Logs | -6.54 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.383 |
| Compound Name | Gal(b1-2)aldehydo-Rib |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 312.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.4642198000000004 |
| Inchi | InChI=1S/C11H20O10/c12-1-4(15)7(16)5(2-13)20-11-10(19)9(18)8(17)6(3-14)21-11/h2,4-12,14-19H,1,3H2/t4-,5+,6-,7-,8+,9+,10-,11-/m1/s1 |
| Smiles | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@@H]([C@@H](CO)O)O)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Actinacantha (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Inula Hupehensis (Plant) Rel Props:Source_db:cmaup_ingredients