Glycoside
GD008683
Name:
NoneFormula:
C19H19O4N4SBrSmiles:
OC[C@@H]1OC(n2ncc3c(SCC=Cc4cccc(Br)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Brc1cccc(C=CCSc2ncnc3c2C=N[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 479.36 | Num_heavy_atoms: | 29 |
| TPSA: | 113.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD06902
Formula: C14H10N4SBr
Smiles:
Brc1cccc(C=CCSc2ncnc3c2C=N[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 346.23 | Num_heavy_atoms: | 20 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
