Glycoside
GD021509
Name:
NoneFormula:
C18H20O4N5FSmiles:
OC[C@@H]1OC(n2cnc3c(NCCc4cccc(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1cccc(CCNc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 389.39 | Num_heavy_atoms: | 28 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD14703
Formula: C13H11N5F
Smiles:
Fc1cccc(CCNc2ncnc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
