Glycoside
GD024229
Name:
NoneFormula:
C20H19O6N7SSmiles:
Nc1ncnc2c1c1c(SCc3ccc([N+](=O)[O-])cc3)ncnc1n2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1-c1c(ncnc1SCc1ccc([N+](=O)[O-])cc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.48 | Num_heavy_atoms: | 34 |
| TPSA: | 195.57 | NumAromaticRings: | 4 |
Unique Aglycone
AD16192
Formula: C15H10O2N7S
Smiles:
Nc1ncnc2c1-c1c(ncnc1SCc1ccc([N+](=O)[O-])cc1)[N]2| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.36 | Num_heavy_atoms: | 25 |
| TPSA: | 134.82 | NumAromaticRings: | 3 |
