Glycoside
GD021071
Name:
NoneFormula:
C17H18O5N4Smiles:
Nc1nc2c(c(-c3ccccc3)cn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)C(c1ccccc1)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 146.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD14455
Formula: C12H9ON4
Smiles:
Nc1nc2c(c(=O)[nH]1)C(c1ccccc1)=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 225.23 | Num_heavy_atoms: | 17 |
| TPSA: | 85.87 | NumAromaticRings: | 2 |
