Glycoside
GD102614
Name:
NoneFormula:
C21H25O5N6FSSmiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=S)NCc3ccc(F)cc3)ncnc21Aglycone:
COCCO.Fc1ccc(CNC(=S)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.53 | Num_heavy_atoms: | 34 |
| TPSA: | 135.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD43440
Formula: C13H10N6FS
Smiles:
Fc1ccc(CNC(=S)Nc2ncnc3c2N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.33 | Num_heavy_atoms: | 21 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
