Glycoside
GD017547
Name:
NoneFormula:
C23H22O4N4Smiles:
OC[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.45 | Num_heavy_atoms: | 31 |
| TPSA: | 112.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD00704
Formula: C18H13N4
Smiles:
C1=C(c2ccccc2)c2c(ncnc2Nc2ccccc2)[N]1| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.33 | Num_heavy_atoms: | 22 |
| TPSA: | 51.91 | NumAromaticRings: | 3 |
