Glycoside
GD034523
Name:
NoneFormula:
C15H18O4N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccco2)[C@H](O)[C@H]1OAglycone:
CNCc1ccco1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 346.35 | Num_heavy_atoms: | 25 |
| TPSA: | 144.48 | NumAromaticRings: | 3 |
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 |
AD01498
Formula: C6H9ON
Smiles:
CNCc1ccco1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 111.14 | Num_heavy_atoms: | 8 |
| TPSA: | 25.17 | NumAromaticRings: | 1 |
