Glycoside
GD001535
Name:
NoneFormula:
C13H15O4N4BrSmiles:
Nc1ncnc2c1c(C=CBr)cn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
Nc1ncnc2c1C(C=CBr)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 371.19 | Num_heavy_atoms: | 22 |
| TPSA: | 126.65 | NumAromaticRings: | 2 |
Unique Aglycone
AD01531
Formula: C8H6N4Br
Smiles:
Nc1ncnc2c1C(C=CBr)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.07 | Num_heavy_atoms: | 13 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
