GlcN(a1-7)a-LDManHep
PubChem CID: 162936367
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| Topological Polar Surface Area | 216.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Iupac Name | (2S,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-hydroxyethyl]oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -5.1 |
| Molecular Formula | C13H25NO11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOLUNKOXJFOMSC-GECCHUQSSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.146 |
| Rotatable Bond Count | 5.0 |
| Logd | -2.494 |
| Compound Name | GlcN(a1-7)a-LDManHep |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 371.143 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.143 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 371.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.3754981999999996 |
| Inchi | InChI=1S/C13H25NO11/c14-5-7(18)6(17)4(1-15)24-13(5)23-2-3(16)11-9(20)8(19)10(21)12(22)25-11/h3-13,15-22H,1-2,14H2/t3-,4+,5+,6+,7+,8-,9-,10-,11+,12-,13-/m0/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]([C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O)O)O)O)O)N)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Wallichii (Plant) Rel Props:Source_db:cmaup_ingredients