Glycoside
GD000137
Name:
NoneFormula:
C19H19O4N5Smiles:
OC[C@@H]1O[C@H](n2cnc3c(Cn4ccc5ccccc54)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(Cn3ccc4ccccc43)ncnc2[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 381.39 | Num_heavy_atoms: | 28 |
| TPSA: | 118.45 | NumAromaticRings: | 4 |
Unique Aglycone
AD00168
Formula: C14H10N5
Smiles:
C1=Nc2c(Cn3ccc4ccccc43)ncnc2[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.27 | Num_heavy_atoms: | 19 |
| TPSA: | 57.17 | NumAromaticRings: | 3 |
