Glycoside
GD011560
Name:
NoneFormula:
C27H25O8N4ClSmiles:
O=[N+]([O-])c1ccc(NCc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)c2nonc12Aglycone:
O=[N+]([O-])c1ccc(NCc2ccc(Cc3ccccc3Cl)cc2)c2nonc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.96 | Num_heavy_atoms: | 39 |
| TPSA: | 184.24 | NumAromaticRings: | 4 |
Unique Aglycone
AD08822
Formula: C21H15O3N4Cl
Smiles:
O=[N+]([O-])c1ccc(NCc2ccc(Cc3ccccc3Cl)cc2)c2nonc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.82 | Num_heavy_atoms: | 28 |
| TPSA: | 94.09 | NumAromaticRings: | 4 |
