Glycoside
GD091656
Name:
NoneFormula:
C20H19O5N7Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(-c4cc5ccccc5cn4)nn3)[C@@H](O)[C@@H]2O)c(=O)n1Aglycone:
C1=C(c2cc3ccccc3cn2)N=N[N]1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 4 |
| MolWt: | 437.42 | Num_heavy_atoms: | 32 |
| TPSA: | 174.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD39984
Formula: C11H7N4
Smiles:
C1=C(c2cc3ccccc3cn2)N=N[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.2 | Num_heavy_atoms: | 15 |
| TPSA: | 51.71 | NumAromaticRings: | 2 |
