Glycoside
GD098055
Name:
NoneFormula:
C20H26O6N4SSmiles:
OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnc(N4CCOCC4)nc3)cc2)[C@@H](O)[C@H](O)[C@H]1OAglycone:
Sc1ccc(Nc2cnc(N3CCOCC3)nc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.52 | Num_heavy_atoms: | 31 |
| TPSA: | 140.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD41717
Formula: C14H16ON4S
Smiles:
Sc1ccc(Nc2cnc(N3CCOCC3)nc2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.38 | Num_heavy_atoms: | 20 |
| TPSA: | 50.28 | NumAromaticRings: | 2 |
