Glycoside
GD001559
Name:
GR-190178Formula:
C17H18O5N5FSmiles:
COC[C@@H]1O[C@H](n2cnc3c(Nc4ccc(O)c(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ccc(Nc2ncnc3c2N=C[N]3)cc1FSugarmoiety:
COCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 391.36 | Num_heavy_atoms: | 28 |
| TPSA: | 134.78 | NumAromaticRings: | 3 |
Unique Aglycone
AD01554
Formula: C11H7ON5F
Smiles:
Oc1ccc(Nc2ncnc3c2N=C[N]3)cc1F| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.21 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
