Glycoside
GD017752
Name:
NoneFormula:
C19H21O6N5Smiles:
COc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)cc1Aglycone:
COc1ccc(C2=N[N]C(c3cnccn3)=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.41 | Num_heavy_atoms: | 30 |
| TPSA: | 155.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD12634
Formula: C13H10ON5
Smiles:
COc1ccc(C2=N[N]C(c3cnccn3)=N2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.26 | Num_heavy_atoms: | 19 |
| TPSA: | 73.83 | NumAromaticRings: | 2 |
