Glycoside
GD020429
Name:
NoneFormula:
C24H22O7N6SSmiles:
O=C(Nc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1)c1ccccc1Aglycone:
O=C(Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 538.54 | Num_heavy_atoms: | 38 |
| TPSA: | 185.76 | NumAromaticRings: | 4 |
Unique Aglycone
AD14105
Formula: C19H13O3N6S
Smiles:
O=C(Nc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2)c1ccccc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 405.42 | Num_heavy_atoms: | 29 |
| TPSA: | 124.48 | NumAromaticRings: | 3 |
