Glycoside
GD018850
Name:
NoneFormula:
C9H11O5N3Smiles:
N#CC1NN=C([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C1=OAglycone:
N#CC1NN=CC1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.2 | Num_heavy_atoms: | 17 |
| TPSA: | 135.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD13223
Formula: C4H3ON3
Smiles:
N#CC1NN=CC1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 109.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.25 | NumAromaticRings: | 0 |
