Glycoside
GD102612
Name:
NoneFormula:
C20H22O4N7FSSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)NCc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Fc1ccc(CNC(=S)Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.51 | Num_heavy_atoms: | 33 |
| TPSA: | 146.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | 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 |
