Gal2Me3Me4Me6Me(b1-6)b-Gal1Me2Me4Me
PubChem CID: 163005947
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 113.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (2R,3R,4S,5R,6R)-2,3,5-trimethoxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxymethyl]oxan-4-ol |
| Prediction Hob | 0.0 |
| Xlogp | -1.5 |
| Molecular Formula | C19H36O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NTBRODFNCMHLOK-HVJQYQNESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.826 |
| Rotatable Bond Count | 11.0 |
| Logd | 0.642 |
| Compound Name | Gal2Me3Me4Me6Me(b1-6)b-Gal1Me2Me4Me |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.226 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.226 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 440.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8811132000000015 |
| Inchi | InChI=1S/C19H36O11/c1-21-8-10-14(23-3)16(25-5)17(26-6)19(30-10)28-9-11-13(22-2)12(20)15(24-4)18(27-7)29-11/h10-20H,8-9H2,1-7H3/t10-,11-,12+,13+,14+,15-,16+,17-,18-,19-/m1/s1 |
| Smiles | COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC)OC)O)OC)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Caulescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Withania Coagulans (Plant) Rel Props:Source_db:cmaup_ingredients