Glycoside
GD037692
Name:
n-({(2e)-2-[(4-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-d-glucopyranosylamineFormula:
C14H18O7N4SSmiles:
O=[N+]([O-])c1ccc(C=NNC(=S)N[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1Aglycone:
NC(=S)NN=Cc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.39 | Num_heavy_atoms: | 26 |
| TPSA: | 169.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD12410
Formula: C8H8O2N4S
Smiles:
NC(=S)NN=Cc1ccc([N+](=O)[O-])cc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.25 | Num_heavy_atoms: | 15 |
| TPSA: | 93.55 | NumAromaticRings: | 1 |
