Glycoside
GD091905
Name:
NoneFormula:
C20H21O5N6ClSmiles:
O=C(NCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1ClAglycone:
O=C(NCCNc1ncnc2c1N=C[N]2)c1ccccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.87 | Num_heavy_atoms: | 31 |
| TPSA: | 154.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD40094
Formula: C15H12ON6Cl
Smiles:
O=C(NCCNc1ncnc2c1N=C[N]2)c1ccccc1Cl| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.74 | Num_heavy_atoms: | 22 |
| TPSA: | 93.37 | NumAromaticRings: | 2 |
