Glycoside
GD008917
Name:
NoneFormula:
C27H28O4N6Smiles:
OC[C@@H]1OC(n2cnc3c(NCCc4cn(Cc5ccccc5)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NCCc2cn(Cc3ccccc3)c3ccccc23)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.56 | Num_heavy_atoms: | 37 |
| TPSA: | 130.48 | NumAromaticRings: | 5 |
Unique Aglycone
AD04011
Formula: C22H19N6
Smiles:
C1=Nc2c(ncnc2NCCc2cn(Cc3ccccc3)c3ccccc23)[N]1| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.44 | Num_heavy_atoms: | 28 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
