Glycoside
GD010058
Name:
NoneFormula:
C15H19O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C1CCC(=O)N1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 377.36 | Num_heavy_atoms: | 27 |
| TPSA: | 177.51 | NumAromaticRings: | 2 |
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 |
AD07811
Formula: C6H10O2N2
Smiles:
CNC(=O)C1CCC(=O)N1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.16 | Num_heavy_atoms: | 10 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
