Glycoside
GD091332
Name:
NoneFormula:
C18H22O6N3FSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ccnn1CCFAglycone:
O=C(Nc1ccc(S)cc1)c1ccnn1CCFSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.45 | Num_heavy_atoms: | 29 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD39844
Formula: C12H12ON3FS
Smiles:
O=C(Nc1ccc(S)cc1)c1ccnn1CCF| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.31 | Num_heavy_atoms: | 18 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
