Glycoside
GD001141
Name:
NoneFormula:
C13H16O4N4Smiles:
OC[C@@H]1O[C@H](n2cnc3c(C4CC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2C2CC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.3 | Num_heavy_atoms: | 21 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD01191
Formula: C8H7N4
Smiles:
C1=Nc2c(ncnc2C2CC2)[N]1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.17 | Num_heavy_atoms: | 12 |
| TPSA: | 52.24 | NumAromaticRings: | 1 |
