Glycoside
GD097583
Name:
NoneFormula:
C21H24O7N4SSmiles:
O=S(=O)(C1CC1)n1cc(-c2ccnc(N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)n2)c2ccccc21Aglycone:
Nc1nccc(-c2cn(S(=O)(=O)C3CC3)c3ccccc23)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.51 | Num_heavy_atoms: | 33 |
| TPSA: | 167.03 | NumAromaticRings: | 3 |
Unique Aglycone
AD41533
Formula: C15H14O2N4S
Smiles:
Nc1nccc(-c2cn(S(=O)(=O)C3CC3)c3ccccc23)n1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.37 | Num_heavy_atoms: | 22 |
| TPSA: | 90.87 | NumAromaticRings: | 3 |
