Glycoside
GD082375
Name:
NoneFormula:
C16H22O4N6F2Smiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CCN(CC(F)F)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
FC(F)CN1CCN(c2ncnc3c2N=C[N]3)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.39 | Num_heavy_atoms: | 28 |
| TPSA: | 120.0 | NumAromaticRings: | 2 |
Unique Aglycone
AD37015
Formula: C11H13N6F2
Smiles:
FC(F)CN1CCN(c2ncnc3c2N=C[N]3)CC1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 267.26 | Num_heavy_atoms: | 19 |
| TPSA: | 58.72 | NumAromaticRings: | 1 |
