Glycoside

GD004519
Name:
NoneFormula:
C21H17O9NF3ClSmiles:
O=C1Nc2c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)cc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1Aglycone:
O=C1Nc2c(O)cc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 4 |
HBD: | 5 | FractionCSP3: | 0.5 |
AlogP: | 1.34 | Num_rotatable_bonds: | 3 |
MolWt: | 507.8 | Num_heavy_atoms: | 34 |
TPSA: | 154.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD03935
Formula: C15H9O3NF3Cl
Smiles:
O=C1Nc2c(O)cc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1HBA: | 4 | RingCount: | 3 |
HBD: | 2 | FractionCSP3: | 0.36 |
AlogP: | 3.78 | Num_rotatable_bonds: | 0 |
MolWt: | 331.68 | Num_heavy_atoms: | 22 |
TPSA: | 58.56 | NumAromaticRings: | 1 |