Glycoside
GD010614
Name:
NoneFormula:
C25H23O4N5Smiles:
CCOc1ccc(-c2cn([C@@H]3OC[C@H](O)[C@H]3O)c3ncnc(Nc4ccc(C#N)cc4)c23)cc1Aglycone:
CCOc1ccc(C2=C[N]c3ncnc(Nc4ccc(C#N)cc4)c32)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 457.49 | Num_heavy_atoms: | 34 |
| TPSA: | 125.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD08175
Formula: C21H16ON5
Smiles:
CCOc1ccc(C2=C[N]c3ncnc(Nc4ccc(C#N)cc4)c32)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 354.39 | Num_heavy_atoms: | 27 |
| TPSA: | 84.93 | NumAromaticRings: | 3 |
