Glycoside
GD013680
Name:
NoneFormula:
C17H22O7N4Smiles:
CCC(=O)O[C@@H]1[C@H](CO)O[C@@H](n2cnc3c(OC)ncnc32)[C@@H]1OC(=O)CCAglycone:
CCC(=O)O.CCC(=O)O.COc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 394.38 | Num_heavy_atoms: | 28 |
| TPSA: | 134.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01211
Formula: C6H5ON4
Smiles:
COc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.47 | NumAromaticRings: | 1 |
