Glycoside
GD012325
Name:
NoneFormula:
C20H20O6N6Cl2Smiles:
COc1cc(Cl)c(CNC[C@@H]2O[C@H](n3cnc4c(O)nc(N)nc43)[C@H](O)[C@H]2O)c(Cl)c1OAglycone:
CNCc1c(Cl)cc(OC)c(O)c1Cl.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 487.3 | Num_heavy_atoms: | 32 |
| TPSA: | 181.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD09312
Formula: C11H11O2NCl2
Smiles:
CNCc1c(Cl)cc(OC)c(O)c1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 236.1 | Num_heavy_atoms: | 14 |
| TPSA: | 41.49 | NumAromaticRings: | 1 |
