Glycoside
GD033382
Name:
NoneFormula:
C23H21O6N6FSmiles:
Cn1c(-c2cn(C3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1Aglycone:
Cn1c(C2=C[N]N=N2)nc(-c2ccc(F)cc2)c1-c1ccncc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 496.46 | Num_heavy_atoms: | 36 |
| TPSA: | 168.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD06881
Formula: C17H12N6F
Smiles:
Cn1c(C2=C[N]N=N2)nc(-c2ccc(F)cc2)c1-c1ccncc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 319.32 | Num_heavy_atoms: | 24 |
| TPSA: | 69.53 | NumAromaticRings: | 3 |
