Glycoside
GD020012
Name:
NoneFormula:
C25H23O4N5Smiles:
COc1ccc(-c2cn([C@@H]3O[C@H](C)[C@H](O)[C@H]3O)c3ncnc(Nc4ccc(C#N)cc4)c23)cc1Aglycone:
COc1ccc(C2=C[N]c3ncnc(Nc4ccc(C#N)cc4)c32)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 457.49 | Num_heavy_atoms: | 34 |
| TPSA: | 125.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD13883
Formula: C20H14ON5
Smiles:
COc1ccc(C2=C[N]c3ncnc(Nc4ccc(C#N)cc4)c32)cc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 340.37 | Num_heavy_atoms: | 26 |
| TPSA: | 84.93 | NumAromaticRings: | 3 |
