Glycoside
GD023200
Name:
NoneFormula:
C25H24O4N2FClSmiles:
CC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3cnc(-c4ccc(F)cc4)nc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Fc1ccc(-c2ncc(Cc3ccccc3Cl)cn2)cc1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.92 | Num_heavy_atoms: | 32 |
| TPSA: | 95.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD15629
Formula: C18H12N2FCl
Smiles:
Fc1ccc(-c2ncc(Cc3ccccc3Cl)cn2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.75 | Num_heavy_atoms: | 21 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
