Glycoside
GD021886
Name:
NoneFormula:
C20H21O4N5Smiles:
CCNc1nc(C#Cc2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CCNc1nc(C#Cc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 4 |
| MolWt: | 395.42 | Num_heavy_atoms: | 29 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD14895
Formula: C15H12N5
Smiles:
CCNc1nc(C#Cc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.3 | Num_heavy_atoms: | 20 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
