Glycoside
GD008607
Name:
NoneFormula:
C14H16O5N5BrSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(Br)=CCCC(=O)O)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C[N]2.O=C(O)CCC=CBrSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.22 | Num_heavy_atoms: | 25 |
| 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 |
AD06850
Formula: C5H7O2Br
Smiles:
O=C(O)CCC=CBr| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.01 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
