Glycoside
GD010643
Name:
NoneFormula:
C17H20O5N5ClSmiles:
COc1ccc(Cl)c(CNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)c1Aglycone:
CNCc1cc(OC)ccc1Cl.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 397.82 | Num_heavy_atoms: | 27 |
| TPSA: | 144.75 | NumAromaticRings: | 2 |
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 |
AD08196
Formula: C10H12ONCl
Smiles:
CNCc1cc(OC)ccc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 185.65 | Num_heavy_atoms: | 12 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
