Glycoside
GD029188
Name:
NoneFormula:
C20H22O5N3FSSmiles:
OC[C@@H]1O[C@H](Cc2cn(Cc3ccc(-c4ccc(F)cc4)s3)nn2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1cn(Cc2ccc(-c3ccc(F)cc3)s2)nn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 435.48 | Num_heavy_atoms: | 30 |
| TPSA: | 120.86 | NumAromaticRings: | 3 |
Unique Aglycone
AD19017
Formula: C14H12N3FS
Smiles:
Cc1cn(Cc2ccc(-c3ccc(F)cc3)s2)nn1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 273.34 | Num_heavy_atoms: | 19 |
| TPSA: | 30.71 | NumAromaticRings: | 3 |
