Glycoside
GD024656
Name:
NoneFormula:
C22H29O5N7Smiles:
CN[C@H](C(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H](C)OCc1ccccc1Aglycone:
CNC(=O)C(NC)C(C)OCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 471.52 | Num_heavy_atoms: | 34 |
| TPSA: | 169.67 | 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 |
AD16433
Formula: C13H20O2N2
Smiles:
CNC(=O)C(NC)C(C)OCc1ccccc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 236.31 | Num_heavy_atoms: | 17 |
| TPSA: | 50.36 | NumAromaticRings: | 1 |
