Glycoside
GD012549
Name:
NoneFormula:
C17H18O4N5SBrSmiles:
Nc1nc(SCc2ccc(Br)cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1Aglycone:
Nc1nc2c(c(SCc3ccc(Br)cc3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.33 | Num_heavy_atoms: | 28 |
| TPSA: | 139.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD09453
Formula: C12H9N5SBr
Smiles:
Nc1nc2c(c(SCc3ccc(Br)cc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 335.21 | Num_heavy_atoms: | 19 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
