Glycoside
GD025821
Name:
NoneFormula:
C22H23O4N5Smiles:
CC(Nc1ncnc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1O)c1cccc2ccccc12Aglycone:
CC(Nc1ncnc2c1N=C[N]2)c1cccc2ccccc12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 421.46 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD17084
Formula: C17H14N5
Smiles:
CC(Nc1ncnc2c1N=C[N]2)c1cccc2ccccc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.33 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
