Glycoside
GD036956
Name:
NoneFormula:
C25H24O4N8S2Smiles:
OC[C@@H]1O[C@H](n2cnc3c(Nc4ccc(CNC(=S)Nc5ccc(N=C=S)cc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
S=C=Nc1ccc(NC(=S)NCc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 564.65 | Num_heavy_atoms: | 39 |
| TPSA: | 161.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD23300
Formula: C20H15N8S2
Smiles:
S=C=Nc1ccc(NC(=S)NCc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.53 | Num_heavy_atoms: | 30 |
| TPSA: | 100.69 | NumAromaticRings: | 3 |
