Glycoside
GD086072
Name:
NoneFormula:
C17H18O4N5FSSmiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(O)c4F)ncnc32)[C@H](O)[C@@H]1OAglycone:
Oc1cccc(Nc2ncnc3c2N=C[N]3)c1FSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 407.43 | Num_heavy_atoms: | 28 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD38256
Formula: C11H7ON5F
Smiles:
Oc1cccc(Nc2ncnc3c2N=C[N]3)c1F| 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 |
