Glycoside
GD027142
Name:
NoneFormula:
C25H26O4N8Smiles:
CNc1ccc2ccc(OC[C@@H]3O[C@H](n4cc(-c5ccn(C)n5)c5c(N)ncnc54)[C@H](O)[C@H]3O)cc2n1Aglycone:
CNc1ccc2ccc(OC)cc2n1.Cn1ccc(C2=C[N]c3ncnc(N)c32)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.54 | Num_heavy_atoms: | 37 |
| TPSA: | 158.39 | NumAromaticRings: | 5 |
Unique Aglycone
AD17866
Formula: C11H12ON2
Smiles:
CNc1ccc2ccc(OC)cc2n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.23 | Num_heavy_atoms: | 14 |
| TPSA: | 34.15 | NumAromaticRings: | 2 |
AD17867
Formula: C10H9N6
Smiles:
Cn1ccc(C2=C[N]c3ncnc(N)c32)n1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.22 | Num_heavy_atoms: | 16 |
| TPSA: | 83.72 | NumAromaticRings: | 2 |
