Glycoside
GD089496
Name:
NoneFormula:
C21H26O4N6FSmiles:
OC[C@H]1O[C@@H](n2cnc3c(N4CC[NH+](Cc5cccc(F)c5)CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(C[NH+]2CCN(c3ncnc4c3N=C[N]4)CC2)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 121.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD39045
Formula: C16H17N6F
Smiles:
Fc1cccc(C[NH+]2CCN(c3ncnc4c3N=C[N]4)CC2)c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.35 | Num_heavy_atoms: | 23 |
| TPSA: | 59.92 | NumAromaticRings: | 2 |
