Glycoside
GD000377
Name:
NoneFormula:
C19H21O5N5Smiles:
Cc1ccc(-c2nc(-c3cnccn3)n(C3OC(CO)C(O)C(O)C3O)n2)cc1Aglycone:
Cc1ccc(C2=N[N]C(c3cnccn3)=N2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.41 | Num_heavy_atoms: | 29 |
| TPSA: | 146.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD00427
Formula: C13H10N5
Smiles:
Cc1ccc(C2=N[N]C(c3cnccn3)=N2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.26 | Num_heavy_atoms: | 18 |
| TPSA: | 64.6 | NumAromaticRings: | 2 |
