Glycoside
GD015814
Name:
NoneFormula:
C21H21O5N6F3Smiles:
O=C(CC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1O)NCC(F)(F)FAglycone:
CCC(=O)NCC(F)(F)F.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 494.43 | Num_heavy_atoms: | 35 |
| TPSA: | 151.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD11445
Formula: C5H8ONF3
Smiles:
CCC(=O)NCC(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.12 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
