Glycoside
GD090125
Name:
NoneFormula:
C15H17O6N5S2Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NS(=O)(=O)c3cccs3)ncnc21Aglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cccs1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 427.46 | Num_heavy_atoms: | 28 |
| TPSA: | 148.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD39200
Formula: C9H6O2N5S2
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)c1cccs1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.31 | Num_heavy_atoms: | 18 |
| TPSA: | 98.41 | NumAromaticRings: | 2 |
