Glycoside
GD031700
Name:
NoneFormula:
C19H25O7N5Smiles:
CCC(=O)Nc1cccc(C(=O)NCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)c1Aglycone:
CCC(=O)Nc1cccc(C(=O)NCC2=C[N]N=N2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 435.44 | Num_heavy_atoms: | 31 |
| TPSA: | 179.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD20402
Formula: C13H14O2N5
Smiles:
CCC(=O)Nc1cccc(C(=O)NCC2=C[N]N=N2)c1| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.23 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.29 | Num_heavy_atoms: | 20 |
| TPSA: | 97.02 | NumAromaticRings: | 1 |
