Glycoside
GD007106
Name:
NoneFormula:
C18H21O8N3SSmiles:
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.45 | Num_heavy_atoms: | 30 |
| TPSA: | 175.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD05808
Formula: C12H11O3N3S
Smiles:
Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.31 | Num_heavy_atoms: | 19 |
| TPSA: | 85.13 | NumAromaticRings: | 2 |
