Glycoside
GD005216
Name:
NoneFormula:
C12H14O5N5BrSmiles:
O=C(CBr)NC[C@@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)CBr.Oc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.34 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.18 | Num_heavy_atoms: | 23 |
| TPSA: | 142.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD04457
Formula: C3H6ONBr
Smiles:
CNC(=O)CBr| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 151.99 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
