Glycoside
GD018453
Name:
NoneFormula:
C22H23O4N7Smiles:
Nc1ncnc2c1nc(NCc1ccc(-c3cccnc3)cc1)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(NCc1ccc(-c3cccnc3)cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.47 | Num_heavy_atoms: | 33 |
| TPSA: | 164.46 | NumAromaticRings: | 4 |
Unique Aglycone
AD13014
Formula: C17H14N7
Smiles:
Nc1ncnc2c1N=C(NCc1ccc(-c3cccnc3)cc1)[N]2| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.35 | Num_heavy_atoms: | 24 |
| TPSA: | 103.18 | NumAromaticRings: | 3 |
