Glycoside
GD090189
Name:
NoneFormula:
C19H20O7N4SSmiles:
O=S(=O)(Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc2c(c1)CCO2Aglycone:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1ccc2c(c1)CCO2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.46 | Num_heavy_atoms: | 31 |
| TPSA: | 156.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD39237
Formula: C14H11O3N4S
Smiles:
O=S(=O)(Nc1ncnc2c1C=C[N]2)c1ccc2c(c1)CCO2| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 315.33 | Num_heavy_atoms: | 22 |
| TPSA: | 95.28 | NumAromaticRings: | 2 |
