Glycoside
GD001858
Name:
NoneFormula:
C13H16O4N6Smiles:
ON=C[C@@H]1O[C@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CC2)[N]1Sugarmoiety:
ON=CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.31 | Num_heavy_atoms: | 23 |
| TPSA: | 137.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD01818
Formula: C8H8N5
Smiles:
C1=Nc2c(ncnc2NC2CC2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
