Glycoside
GD044560
Name:
NoneFormula:
C8H11O6N3SSmiles:
O=[N+]([O-])C1=NCN([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)C1=SAglycone:
O=[N+]([O-])C1=NCNC1=SSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 277.26 | Num_heavy_atoms: | 18 |
| TPSA: | 128.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD25062
Formula: C3H3O2N3S
Smiles:
O=[N+]([O-])C1=NCNC1=S| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.14 | Num_heavy_atoms: | 9 |
| TPSA: | 67.53 | NumAromaticRings: | 0 |
