Glycoside
GD014513
Name:
NoneFormula:
C17H19O4N5Smiles:
Nc1nc(N)c2c(-c3ccccc3)cn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc(N)c2c(n1)[N]C=C2c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.37 | Num_heavy_atoms: | 26 |
| TPSA: | 152.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD10660
Formula: C12H10N5
Smiles:
Nc1nc(N)c2c(n1)[N]C=C2c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 224.25 | Num_heavy_atoms: | 17 |
| TPSA: | 91.92 | NumAromaticRings: | 2 |
