Glycoside
GD025374
Name:
NoneFormula:
C18H21O9N5S2Smiles:
Nc1nc(S(=O)(=O)CCc2ccc(S(=O)(=O)O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(S(=O)(=O)CCc2ccc(S(=O)(=O)O)cc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 7 |
| MolWt: | 515.53 | Num_heavy_atoms: | 34 |
| TPSA: | 228.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD16831
Formula: C13H12O5N5S2
Smiles:
Nc1nc(S(=O)(=O)CCc2ccc(S(=O)(=O)O)cc2)nc2c1N=C[N]2| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.4 | Num_heavy_atoms: | 25 |
| TPSA: | 166.77 | NumAromaticRings: | 2 |
