Glycoside
GD008505
Name:
NoneFormula:
C26H29O9N3Smiles:
COc1ccc(C=CC(=O)c2ccc(OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc2)cc1OCAglycone:
COc1ccc(C=CC(=O)c2ccc(OCC3=C[N]N=N3)cc2)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 527.53 | Num_heavy_atoms: | 38 |
| TPSA: | 165.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD06786
Formula: C20H18O4N3
Smiles:
COc1ccc(C=CC(=O)c2ccc(OCC3=C[N]N=N3)cc2)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 364.38 | Num_heavy_atoms: | 27 |
| TPSA: | 83.58 | NumAromaticRings: | 2 |
