Glycoside
GD091036
Name:
NoneFormula:
C21H23O4N7Smiles:
OC[C@H]1O[C@@H](n2cnc3c(NCCNc4ccc5ccccc5n4)ncnc32)[C@H](O)[C@@H]1OAglycone:
C1=Nc2c(ncnc2NCCNc2ccc3ccccc3n2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.46 | Num_heavy_atoms: | 32 |
| TPSA: | 150.47 | NumAromaticRings: | 4 |
Unique Aglycone
AD39662
Formula: C16H14N7
Smiles:
C1=Nc2c(ncnc2NCCNc2ccc3ccccc3n2)[N]1| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.34 | Num_heavy_atoms: | 23 |
| TPSA: | 89.19 | NumAromaticRings: | 3 |
