Glycoside
GD028455
Name:
NoneFormula:
C10H11O5N4BrSmiles:
O=c1[nH]cnc2c1c(Br)nn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
O=c1[nH]cnc2c1C(Br)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 347.13 | Num_heavy_atoms: | 20 |
| TPSA: | 133.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD16775
Formula: C5H2ON4Br
Smiles:
O=c1[nH]cnc2c1C(Br)=N[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 214.0 | Num_heavy_atoms: | 11 |
| TPSA: | 72.21 | NumAromaticRings: | 1 |
