Glycoside
GD009130
Name:
NoneFormula:
C22H25O5N5Smiles:
CC(C)Nc1nc(C#C[C@H](O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 439.47 | Num_heavy_atoms: | 32 |
| TPSA: | 145.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD07196
Formula: C17H16ON5
Smiles:
CC(C)Nc1nc(C#CC(O)c2ccccc2)nc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.35 | Num_heavy_atoms: | 23 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
