Glycoside
GD028246
Name:
NoneFormula:
C23H28O6N6SSmiles:
O=[N+]([O-])c1ccc(CSc2nc(NC3CCCCC3)nc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
O=[N+]([O-])c1ccc(CSc2nc(NC3CCCCC3)nc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.58 | Num_heavy_atoms: | 36 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD18481
Formula: C18H19O2N6S
Smiles:
O=[N+]([O-])c1ccc(CSc2nc(NC3CCCCC3)nc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.39 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.46 | Num_heavy_atoms: | 27 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
