Glycoside
GD035495
Name:
NoneFormula:
C22H21O4N5Smiles:
OC[C@@H]1O[C@H](n2nc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
c1ccc(Nc2ncnc3c2C(c2ccccc2)=N[N]3)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 419.44 | Num_heavy_atoms: | 31 |
| TPSA: | 125.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD13927
Formula: C17H12N5
Smiles:
c1ccc(Nc2ncnc3c2C(c2ccccc2)=N[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.32 | Num_heavy_atoms: | 22 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
