Glycoside
GD029975
Name:
NoneFormula:
C19H19O8N3Smiles:
O=C1C=C(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)C(=O)c2ccccc21Aglycone:
O=C1C=C(OCC2=C[N]N=N2)C(=O)c2ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 417.37 | Num_heavy_atoms: | 30 |
| TPSA: | 164.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD17754
Formula: C13H8O3N3
Smiles:
O=C1C=C(OCC2=C[N]N=N2)C(=O)c2ccccc21| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.22 | Num_heavy_atoms: | 19 |
| TPSA: | 82.19 | NumAromaticRings: | 1 |
