Glycoside
GD068454
Name:
NoneFormula:
C13H13O6N2BrSmiles:
O=C(c1nnc(-c2cccc(Br)c2)o1)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Brc1cccc(-c2nnco2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 373.16 | Num_heavy_atoms: | 22 |
| TPSA: | 136.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD32431
Formula: C8H5ON2Br
Smiles:
Brc1cccc(-c2nnco2)c1| 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 |
