Glycoside
GD099035
Name:
NoneFormula:
C18H27O4N7FSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCC[NH+]4CCCCC4)nc(F)nc32)[C@@H](O)[C@@H]1OAglycone:
Fc1nc2c(c(NC(=S)NCC[NH+]3CCCCC3)n1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.52 | Num_heavy_atoms: | 31 |
| TPSA: | 142.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD42153
Formula: C13H18N7FS
Smiles:
Fc1nc2c(c(NC(=S)NCC[NH+]3CCCCC3)n1)N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.4 | Num_heavy_atoms: | 22 |
| TPSA: | 80.74 | NumAromaticRings: | 1 |
