All(b1-4)L-Gal(a1-4)a-L-Gal
PubChem CID: 162928433
Connections displayed (default: 10).
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| Topological Polar Surface Area | 269.0 |
|---|---|
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 641.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | (2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -6.9 |
| Molecular Formula | C18H32O16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FYGDTMLNYKFZSV-JUYCKNFXSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.366 |
| Rotatable Bond Count | 7.0 |
| Logd | -3.561 |
| Compound Name | All(b1-4)L-Gal(a1-4)a-L-Gal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 504.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 504.169 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 504.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.8288843999999986 |
| Inchi | InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11+,12-,13+,14-,15-,16-,17+,18+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H](O[C@H]([C@H]([C@@H]2O)O)O[C@@H]3[C@@H](O[C@H]([C@H]([C@@H]3O)O)O)CO)CO)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients