Glycoside
GD032522
Name:
NoneFormula:
C36H48O18N12Smiles:
O=C(NCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)c1cc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
O=C(NCC1=C[N]N=N1)c1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.58 |
| AlogP: | -8.83 | Num_rotatable_bonds: | 15 |
| MolWt: | 936.85 | Num_heavy_atoms: | 66 |
| TPSA: | 449.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD15020
Formula: C18H15O3N12
Smiles:
O=C(NCC1=C[N]N=N1)c1cc(C(=O)NCC2=C[N]N=N2)cc(C(=O)NCC2=C[N]N=N2)c1| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 447.4 | Num_heavy_atoms: | 33 |
| TPSA: | 203.76 | NumAromaticRings: | 1 |
