Glycoside
GD030399
Name:
NoneFormula:
C23H21O7N3Smiles:
O=c1cc(-c2ccccc2)c2ccc(OCc3cn([C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)nn3)cc2o1Aglycone:
O=c1cc(-c2ccccc2)c2ccc(OCC3=C[N]N=N3)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.44 | Num_heavy_atoms: | 33 |
| TPSA: | 140.07 | NumAromaticRings: | 4 |
Unique Aglycone
AD03736
Formula: C18H12O3N3
Smiles:
O=c1cc(-c2ccccc2)c2ccc(OCC3=C[N]N=N3)cc2o1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.31 | Num_heavy_atoms: | 24 |
| TPSA: | 78.26 | NumAromaticRings: | 3 |
