Glycoside
GD027088
Name:
NoneFormula:
C21H21O5N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNc2c(NCc3ccccc3)c(=O)c2=O)[C@H](O)[C@H]1OAglycone:
CNc1c(NCc2ccccc2)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 451.44 | Num_heavy_atoms: | 33 |
| TPSA: | 177.51 | 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 |
AD17829
Formula: C12H12O2N2
Smiles:
CNc1c(NCc2ccccc2)c(=O)c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 216.24 | Num_heavy_atoms: | 16 |
| TPSA: | 58.2 | NumAromaticRings: | 2 |
