Glycoside
GD020815
Name:
NoneFormula:
C19H18O4N4SSmiles:
OC[C@@H]1OC(n2ncc3c(SCC#Cc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(#Cc1ccccc1)CSc1ncnc2c1C=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.44 | Num_heavy_atoms: | 28 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD14312
Formula: C14H9N4S
Smiles:
C(#Cc1ccccc1)CSc1ncnc2c1C=N[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 265.32 | Num_heavy_atoms: | 19 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
