D-AltA(a1-2)b-D-Ara4Me
PubChem CID: 162990463
Connections displayed (default: 10).
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| Topological Polar Surface Area | 175.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (2S,3S,4R,5S,6S)-6-[(2R,3S,4R,5R)-2,4-dihydroxy-5-methoxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Prediction Hob | 0.0 |
| Xlogp | -3.3 |
| Molecular Formula | C12H20O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SYTCLBNDYMJSJC-FTEMDQGISA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -0.463 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.819 |
| Compound Name | D-AltA(a1-2)b-D-Ara4Me |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 340.101 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 340.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.4121577999999999 |
| Inchi | InChI=1S/C12H20O11/c1-20-3-2-21-11(19)9(4(3)13)23-12-7(16)5(14)6(15)8(22-12)10(17)18/h3-9,11-16,19H,2H2,1H3,(H,17,18)/t3-,4-,5-,6+,7+,8+,9+,11-,12-/m1/s1 |
| Smiles | CO[C@@H]1CO[C@H]([C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Latazi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Grazielia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Strychnos Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients