Glycoside
GD091983
Name:
NoneFormula:
C19H22O4N8Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCCc4nnc5ccccn45)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCCc2nnc3ccccn23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 426.44 | Num_heavy_atoms: | 31 |
| TPSA: | 155.74 | NumAromaticRings: | 4 |
Unique Aglycone
AD40148
Formula: C14H13N8
Smiles:
C1=Nc2c(ncnc2NCCCc2nnc3ccccn23)[N]1| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.31 | Num_heavy_atoms: | 22 |
| TPSA: | 94.46 | NumAromaticRings: | 3 |
