Glycoside
GD032530
Name:
NoneFormula:
C19H18O4N4SSmiles:
N#Cc1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
N#Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.44 | Num_heavy_atoms: | 28 |
| TPSA: | 124.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD20859
Formula: C14H9N4S
Smiles:
N#Cc1ccc(CSc2ncnc3c2C=C[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.32 | Num_heavy_atoms: | 19 |
| TPSA: | 63.67 | NumAromaticRings: | 2 |
