Glycoside
GD083255
Name:
NoneFormula:
C19H20O4N8Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCc4n[nH]c(-c5ccccc5)n4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCc2n[nH]c(-c3ccccc3)n2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.42 | Num_heavy_atoms: | 31 |
| TPSA: | 167.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD37177
Formula: C14H11N8
Smiles:
C1=Nc2c(ncnc2NCc2n[nH]c(-c3ccccc3)n2)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.3 | Num_heavy_atoms: | 22 |
| TPSA: | 105.84 | NumAromaticRings: | 3 |
