Glycoside
GD090750
Name:
NoneFormula:
C20H25O6N3SSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@@H]1CCc2nccn2C1Aglycone:
O=C(Nc1ccc(S)cc1)C1CCc2nccn2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 435.5 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD39506
Formula: C14H15ON3S
Smiles:
O=C(Nc1ccc(S)cc1)C1CCc2nccn2C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.36 | Num_heavy_atoms: | 19 |
| TPSA: | 46.92 | NumAromaticRings: | 2 |
