Glycoside
GD044801
Name:
NoneFormula:
C13H17O5N3Smiles:
N#CCc1cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccn1Aglycone:
N#CCc1cc(N)ccn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 4 |
| MolWt: | 295.3 | Num_heavy_atoms: | 21 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD25087
Formula: C7H7N3
Smiles:
N#CCc1cc(N)ccn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.15 | Num_heavy_atoms: | 10 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
