Glycoside
GD051230
Name:
NoneFormula:
C10H13O4N2BrSmiles:
O[C@@H]1[C@H](Nc2ccc(Br)cn2)OC[C@@H](O)[C@H]1OAglycone:
Nc1ccc(Br)cn1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 305.13 | Num_heavy_atoms: | 17 |
| TPSA: | 94.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD26827
Formula: C5H5N2Br
Smiles:
Nc1ccc(Br)cn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 0 |
| MolWt: | 173.01 | Num_heavy_atoms: | 8 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
