Glycoside
GD005258
Name:
NoneFormula:
C35H43O9N9Smiles:
CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@H](O)[C@H]3O)cc2)cc1)NC(=O)OC(C)(C)CAglycone:
CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NC(=O)OC(C)(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 733.78 | Num_heavy_atoms: | 53 |
| TPSA: | 251.18 | NumAromaticRings: | 4 |
Unique Aglycone
AD04493
Formula: C30H34O5N9
Smiles:
CNC(=O)CNC(=O)C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NC(=O)OC(C)(C)C| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 600.66 | Num_heavy_atoms: | 44 |
| TPSA: | 189.9 | NumAromaticRings: | 3 |
