Glycoside
GD018840
Name:
NoneFormula:
C20H26O8N4Smiles:
CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(OC)ncnc32)[C@H](OC(=O)CC)[C@H]1OC(=O)CCAglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)OC.COc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)O1Other Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 450.45 | Num_heavy_atoms: | 32 |
| TPSA: | 140.96 | 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 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
