Glycoside
GD035826
Name:
NoneFormula:
C26H26O8N4Smiles:
COc1cc(C=CC(=O)c2ccc(C#N)cc2)ccc1OCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1Aglycone:
COc1cc(C=CC(=O)c2ccc(C#N)cc2)ccc1OCC1=C[N]N=N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 522.51 | Num_heavy_atoms: | 38 |
| TPSA: | 180.18 | NumAromaticRings: | 3 |
Unique Aglycone
AD22645
Formula: C20H15O3N4
Smiles:
COc1cc(C=CC(=O)c2ccc(C#N)cc2)ccc1OCC1=C[N]N=N1| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 359.37 | Num_heavy_atoms: | 27 |
| TPSA: | 98.14 | NumAromaticRings: | 2 |
