Glycoside
GD022462
Name:
NoneFormula:
C18H19O6N5Cl2Smiles:
COc1cc(Cl)c(CNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)c(Cl)c1OAglycone:
CNCc1c(Cl)cc(OC)c(O)c1Cl.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 448.26 | Num_heavy_atoms: | 29 |
| TPSA: | 164.98 | 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 |
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 |
