L-Qui(b1-2)L-Qui(b1-3)b-Glc
PubChem CID: 163038415
Connections displayed (default: 10).
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| Topological Polar Surface Area | 228.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 610.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 15.0 |
| Iupac Name | (2R,3S,4R,5R,6S)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[(2R,3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.8 |
| Molecular Formula | C18H32O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QJDKBZIVDQXPKJ-RTXFQSHHSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.483 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.679 |
| Compound Name | L-Qui(b1-2)L-Qui(b1-3)b-Glc |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 472.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 472.179 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 472.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 15.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5722719999999999 |
| Inchi | InChI=1S/C18H32O14/c1-4-7(20)10(23)12(25)17(28-4)32-15-11(24)8(21)5(2)29-18(15)31-14-9(22)6(3-19)30-16(27)13(14)26/h4-27H,3H2,1-2H3/t4-,5-,6+,7-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)C)O)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Uncaria Scandens (Plant) Rel Props:Source_db:cmaup_ingredients