Glycoside
GD049552
Name:
NoneFormula:
C14H16O7N2Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1=Cc2cccn2C1=OAglycone:
NC(=O)C1=Cc2cccn2C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 141.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD26235
Formula: C8H6O2N2
Smiles:
NC(=O)C1=Cc2cccn2C1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.15 | Num_heavy_atoms: | 12 |
| TPSA: | 65.09 | NumAromaticRings: | 1 |
