Glycoside
GD030757
Name:
NoneFormula:
C32H33O9N3Smiles:
COc1ccc(C=CC(=O)c2ccc(OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nn3)cc2)cc1OCc1ccccc1Aglycone:
COc1ccc(C=CC(=O)c2ccc(OCC3=C[N]N=N3)cc2)cc1OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 12 |
| MolWt: | 603.63 | Num_heavy_atoms: | 44 |
| TPSA: | 165.62 | NumAromaticRings: | 4 |
Unique Aglycone
AD19895
Formula: C26H22O4N3
Smiles:
COc1ccc(C=CC(=O)c2ccc(OCC3=C[N]N=N3)cc2)cc1OCc1ccccc1| HBA: | 7 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 5.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 440.48 | Num_heavy_atoms: | 33 |
| TPSA: | 83.58 | NumAromaticRings: | 3 |
