Glycoside
GD012253
Name:
NoneFormula:
C24H26O6N5ClSmiles:
COc1cc(CNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)ccc1OCc1cccc(Cl)c1Aglycone:
CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 503.94 | Num_heavy_atoms: | 35 |
| TPSA: | 153.98 | 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 |
AD09254
Formula: C17H18O2NCl
Smiles:
CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 291.78 | Num_heavy_atoms: | 20 |
| TPSA: | 30.49 | NumAromaticRings: | 2 |
