Glycoside
GD018093
Name:
NoneFormula:
C19H22O4N6Smiles:
OC[C@@H]1OC(n2cnc3c(NC4CC4)nc(Nc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(nc(Nc3ccccc3)nc2NC2CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.42 | Num_heavy_atoms: | 29 |
| TPSA: | 137.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD12820
Formula: C14H13N6
Smiles:
C1=Nc2c(nc(Nc3ccccc3)nc2NC2CC2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 265.3 | Num_heavy_atoms: | 20 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
