Glycoside
GD034531
Name:
NoneFormula:
C22H20O5N4F3ClSmiles:
Nc1ccn([C@@H]2O[C@H](CNCc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.86 | Num_heavy_atoms: | 34 |
| TPSA: | 135.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD11003
Formula: C14H11ONF3Cl
Smiles:
CNCc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.68 | Num_heavy_atoms: | 19 |
| TPSA: | 25.17 | NumAromaticRings: | 2 |
