Glycoside
GD059341
Name:
NoneFormula:
C11H12O5N3BrSmiles:
O=c1[nH]cnc2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(Br)=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 346.14 | Num_heavy_atoms: | 20 |
| TPSA: | 120.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD22667
Formula: C6H3ON3Br
Smiles:
O=c1[nH]cnc2c1C(Br)=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.01 | Num_heavy_atoms: | 11 |
| TPSA: | 59.85 | NumAromaticRings: | 1 |
