Glycoside
GD097064
Name:
NoneFormula:
C20H18O8N4SSmiles:
O=c1ccc2cc(S(=O)(=O)Nc3ncnc4c3ccn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ccc2o1Aglycone:
O=c1ccc2cc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)ccc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 474.45 | Num_heavy_atoms: | 33 |
| TPSA: | 177.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD41258
Formula: C15H9O4N4S
Smiles:
O=c1ccc2cc(S(=O)(=O)Nc3ncnc4c3C=C[N]4)ccc2o1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.33 | Num_heavy_atoms: | 24 |
| TPSA: | 116.26 | NumAromaticRings: | 3 |
