Glycoside
GD016331
Name:
NoneFormula:
C21H29O4N5Smiles:
Nc1nc(C#CCCCC2CCCCC2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(C#CCCCC2CCCCC2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.49 | Num_heavy_atoms: | 30 |
| TPSA: | 139.54 | NumAromaticRings: | 2 |
Unique Aglycone
AD11776
Formula: C16H20N5
Smiles:
Nc1nc(C#CCCCC2CCCCC2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 282.37 | Num_heavy_atoms: | 21 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
