Glycoside
GD027279
Name:
NoneFormula:
C27H31O10N3Smiles:
COc1cc(C=CC(=O)c2ccc(OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc2)cc(OC)c1OCAglycone:
COc1cc(C=CC(=O)c2ccc(OCC3=C[N]N=N3)cc2)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 11 |
| MolWt: | 557.56 | Num_heavy_atoms: | 40 |
| TPSA: | 174.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD17946
Formula: C21H20O5N3
Smiles:
COc1cc(C=CC(=O)c2ccc(OCC3=C[N]N=N3)cc2)cc(OC)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 394.41 | Num_heavy_atoms: | 29 |
| TPSA: | 92.81 | NumAromaticRings: | 2 |
