Glycoside
GD068058
Name:
NoneFormula:
C13H17O5N3BrSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2c[nH+]c3c(Br)cccn23)[C@@H](O)[C@@H]1OAglycone:
Nc1c[nH+]c2c(Br)cccn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.2 | Num_heavy_atoms: | 22 |
| TPSA: | 120.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD32279
Formula: C7H7N3Br
Smiles:
Nc1c[nH+]c2c(Br)cccn12| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 213.06 | Num_heavy_atoms: | 11 |
| TPSA: | 44.57 | NumAromaticRings: | 2 |
