Glycoside
GD080975
Name:
NoneFormula:
C17H16O6N5FSmiles:
O=c1ccn([C@@H]2O[C@@](CO)(n3cc(-c4cccc(F)c4)nn3)[C@@H](O)[C@@H]2O)c(=O)[nH]1Aglycone:
Fc1cccc(C2=C[N]N=N2)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 405.34 | Num_heavy_atoms: | 29 |
| TPSA: | 155.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD29975
Formula: C8H5N3F
Smiles:
Fc1cccc(C2=C[N]N=N2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.15 | Num_heavy_atoms: | 12 |
| TPSA: | 38.82 | NumAromaticRings: | 1 |
