Glycoside
GD001006
Name:
NoneFormula:
C16H17O6N5SSmiles:
Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1nc(S(=O)(=O)c2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.41 | Num_heavy_atoms: | 28 |
| TPSA: | 173.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD01047
Formula: C11H8O2N5S
Smiles:
Nc1nc(S(=O)(=O)c2ccccc2)nc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 274.29 | Num_heavy_atoms: | 19 |
| TPSA: | 112.4 | NumAromaticRings: | 2 |
