Glycoside
GD092214
Name:
NoneFormula:
C16H16O8N2S2Smiles:
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
O=C1NC(=S)SC1=Cc1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 428.44 | Num_heavy_atoms: | 28 |
| TPSA: | 153.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD40246
Formula: C10H6O3N2S2
Smiles:
O=C1NC(=S)SC1=Cc1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 266.3 | Num_heavy_atoms: | 17 |
| TPSA: | 72.24 | NumAromaticRings: | 1 |
