Glycoside
GD002994
Name:
NoneFormula:
C21H26O6N6SSmiles:
CCCCNc1nc(SCc2ccc([N+](=O)[O-])cc2)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 490.54 | Num_heavy_atoms: | 34 |
| TPSA: | 168.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD02776
Formula: C16H17O2N6S
Smiles:
CCCCNc1nc2c(c(SCc3ccc([N+](=O)[O-])cc3)n1)N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 357.42 | Num_heavy_atoms: | 25 |
| TPSA: | 107.41 | NumAromaticRings: | 2 |
