Glycoside
GD078984
Name:
NoneFormula:
C17H18O6N2SSmiles:
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc(Sc2ccccc2)c1Aglycone:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.41 | Num_heavy_atoms: | 26 |
| TPSA: | 125.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD36254
Formula: C12H10O2N2S
Smiles:
Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.29 | Num_heavy_atoms: | 17 |
| TPSA: | 69.16 | NumAromaticRings: | 2 |
