Glycoside
GD012171
Name:
NoneFormula:
C13H13O5N2BrSmiles:
OC[C@@H]1O[C@H](c2nc(-c3ccccc3Br)no2)[C@H](O)[C@H]1OAglycone:
Brc1ccccc1-c1ncon1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.16 | Num_heavy_atoms: | 21 |
| TPSA: | 108.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD09195
Formula: C8H5ON2Br
Smiles:
Brc1ccccc1-c1ncon1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 225.04 | Num_heavy_atoms: | 12 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
