Glycoside
GD002364
Name:
NoneFormula:
C20H25O7N3SSmiles:
O=C(Nc1ccc(N2CCOCC2)cc1)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1Aglycone:
O=C(Nc1ccc(N2CCOCC2)cc1)c1cscn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 144.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD02262
Formula: C14H15O2N3S
Smiles:
O=C(Nc1ccc(N2CCOCC2)cc1)c1cscn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.36 | Num_heavy_atoms: | 20 |
| TPSA: | 54.46 | NumAromaticRings: | 2 |
