Glycoside
GD029466
Name:
NoneFormula:
C17H22O5N5FSmiles:
CCOC(=O)CCCC(F)=C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
C=C(F)CCCC(=O)OCC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.39 | Num_heavy_atoms: | 28 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
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 |
AD19163
Formula: C8H13O2F
Smiles:
C=C(F)CCCC(=O)OCC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 160.19 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
