Glycoside
GD035043
Name:
NoneFormula:
C23H20O4N6F3ClSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 524.89 | Num_heavy_atoms: | 36 |
| TPSA: | 144.48 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD11003
Formula: C14H11ONF3Cl
Smiles:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.68 | Num_heavy_atoms: | 19 |
| TPSA: | 25.17 | NumAromaticRings: | 2 |
