Glycoside
GD101768
Name:
NoneFormula:
C23H24O6N5ClSmiles:
O=C(c1cc(Nc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1Cl)N1CCOCC1Aglycone:
O=C(c1cc(Nc2ncnc3c2C=C[N]3)ccc1Cl)N1CCOCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 489.92 | Num_heavy_atoms: | 34 |
| TPSA: | 142.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD43096
Formula: C18H15O2N5Cl
Smiles:
O=C(c1cc(Nc2ncnc3c2C=C[N]3)ccc1Cl)N1CCOCC1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.79 | Num_heavy_atoms: | 25 |
| TPSA: | 81.45 | NumAromaticRings: | 2 |
