Glycoside
GD088677
Name:
NoneFormula:
C19H20O7N6Smiles:
Nc1ccn([C@@H]2O[C@@](CO)(n3cc(COC(=O)c4ccccc4)nn3)[C@@H](O)[C@H]2O)c(=O)n1Aglycone:
Nc1cc[nH]c(=O)n1.O=C(OCC1=C[N]N=N1)c1ccccc1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 6 |
| MolWt: | 444.4 | Num_heavy_atoms: | 32 |
| TPSA: | 187.84 | NumAromaticRings: | 3 |
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 |
AD38806
Formula: C10H8O2N3
Smiles:
O=C(OCC1=C[N]N=N1)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.19 | Num_heavy_atoms: | 15 |
| TPSA: | 65.12 | NumAromaticRings: | 1 |
