Glycoside
GD001608
Name:
NoneFormula:
C19H18O5N8Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](Cn2cc(C(=O)c3ccccc3O)nn2)[C@H](O)[C@H]1OAglycone:
Cn1cc(C(=O)c2ccccc2O)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.4 | Num_heavy_atoms: | 32 |
| TPSA: | 187.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01596
Formula: C10H9O2N3
Smiles:
Cn1cc(C(=O)c2ccccc2O)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.2 | Num_heavy_atoms: | 15 |
| TPSA: | 68.01 | NumAromaticRings: | 2 |
