Glycoside
GD015653
Name:
NoneFormula:
C21H19O5N5F3ClSmiles:
NC(=O)c1ncn([C@@H]2O[C@H](CNCc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)[C@H](O)[C@H]2O)n1Aglycone:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 501.85 | Num_heavy_atoms: | 34 |
| TPSA: | 148.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
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 |
