Glycoside
GD103193
Name:
NoneFormula:
C19H19O4N7F2SSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(=S)Nc4ccc(F)cc4F)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Fc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)c(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 479.47 | 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 |
AD43660
Formula: C12H7N6F2S
Smiles:
Fc1ccc(NC(=S)Nc2ncnc3c2N=C[N]3)c(F)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.29 | Num_heavy_atoms: | 21 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
