Glycoside
GD085772
Name:
NoneFormula:
C20H22O4N5FSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NCC4(c5cccc(F)c5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(C2(CNc3ncnc4c3N=C[N]4)CC2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 415.43 | Num_heavy_atoms: | 30 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD38194
Formula: C15H13N5F
Smiles:
Fc1cccc(C2(CNc3ncnc4c3N=C[N]4)CC2)c1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.3 | Num_heavy_atoms: | 21 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
