Glycoside
GD100894
Name:
NoneFormula:
C21H26O6N4S2Smiles:
OC[C@H]1O[C@H](O)[C@H](Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)[C@@H](O)[C@@H]1OAglycone:
Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.6 | Num_heavy_atoms: | 33 |
| TPSA: | 140.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD42631
Formula: C15H16ON4S2
Smiles:
Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 332.45 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
