Glycoside
GD091319
Name:
NoneFormula:
C20H22O5N6Smiles:
O=C(CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCc2ccccc21Aglycone:
O=C(CNc1ncnc2c1N=C[N]2)N1CCc2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 426.43 | Num_heavy_atoms: | 31 |
| TPSA: | 145.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD39837
Formula: C15H13ON6
Smiles:
O=C(CNc1ncnc2c1N=C[N]2)N1CCc2ccccc21| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.31 | Num_heavy_atoms: | 22 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
