Glycoside
GD025920
Name:
NoneFormula:
C11H13O5N4F3Smiles:
Nc1ccn([C@@H]2O[C@H](C(=O)NCC(F)(F)F)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=CNCC(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.24 | Num_heavy_atoms: | 23 |
| TPSA: | 139.7 | NumAromaticRings: | 1 |
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 |
AD13948
Formula: C3H4ONF3
Smiles:
O=CNCC(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 127.07 | Num_heavy_atoms: | 8 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
