Glycoside
GD007050
Name:
NoneFormula:
C15H18O5N5FSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C=C(F)CCCC(=O)O)[C@H](O)[C@H]1OAglycone:
C=C(F)CCCC(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.34 | Num_heavy_atoms: | 26 |
| TPSA: | 156.61 | 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 |
AD05768
Formula: C6H9O2F
Smiles:
C=C(F)CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 132.13 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
