Glycoside
GD028593
Name:
NoneFormula:
C20H25O5N5Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OCOCCCc1ccccc1Aglycone:
Nc1ncnc2c1N=C[N]2.OCOCCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 415.45 | Num_heavy_atoms: | 30 |
| TPSA: | 137.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18668
Formula: C10H14O2
Smiles:
OCOCCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 166.22 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
