Glycoside
GD061035
Name:
NoneFormula:
C16H19O6N3Smiles:
CC(=O)c1ccc(-c2cn([C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)cc1Aglycone:
CC(=O)c1ccc(C2=C[N]N=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 349.34 | Num_heavy_atoms: | 25 |
| TPSA: | 137.93 | NumAromaticRings: | 2 |
Unique Aglycone
AD29983
Formula: C10H8ON3
Smiles:
CC(=O)c1ccc(C2=C[N]N=N2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.89 | NumAromaticRings: | 1 |
