Glycoside
GD017241
Name:
NoneFormula:
C25H26O6N4FClSmiles:
COc1cccc(CNC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)c1OCc1ccc(F)cc1ClAglycone:
CNCc1cccc(OC)c1OCc1ccc(F)cc1Cl.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.95 | Num_heavy_atoms: | 36 |
| TPSA: | 141.09 | 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 |
AD12324
Formula: C17H17O2NFCl
Smiles:
CNCc1cccc(OC)c1OCc1ccc(F)cc1Cl| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.77 | Num_heavy_atoms: | 21 |
| TPSA: | 30.49 | NumAromaticRings: | 2 |
