Glycoside
GD019425
Name:
NoneFormula:
C21H23O5N5Smiles:
CCNc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCNc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 425.45 | Num_heavy_atoms: | 31 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD12552
Formula: C16H14ON5
Smiles:
CCNc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.32 | Num_heavy_atoms: | 22 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
