Glycoside
GD008506
Name:
NoneFormula:
C26H23O7N3Cl2Smiles:
O=C(C=Cc1cc(Cl)cc(Cl)c1)c1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1Aglycone:
O=C(C=Cc1cc(Cl)cc(Cl)c1)c1ccc(OCC2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.37 | Num_heavy_atoms: | 36 |
| TPSA: | 147.16 | NumAromaticRings: | 3 |
Unique Aglycone
AD06787
Formula: C20H12O2N3Cl2
Smiles:
O=C(C=Cc1cc(Cl)cc(Cl)c1)c1ccc(OCC2=C[N]N=N2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 373.22 | Num_heavy_atoms: | 25 |
| TPSA: | 65.12 | NumAromaticRings: | 2 |
