Glycoside
GD027627
Name:
NoneFormula:
C22H25O4N5Smiles:
CNc1nc(C#CCCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CNc1nc(C#CCCCc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.47 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD18135
Formula: C17H16N5
Smiles:
CNc1nc(C#CCCCc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.35 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
