Glycoside
GD000212
Name:
NoneFormula:
C9H12O6N2Smiles:
O=C1C=NN(C2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)C1Aglycone:
O=C1C=NNC(=O)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.2 | Num_heavy_atoms: | 17 |
| TPSA: | 119.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00246
Formula: C4H4O2N2
Smiles:
O=C1C=NNC(=O)C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 58.53 | NumAromaticRings: | 0 |
