Glycoside
GD068457
Name:
NoneFormula:
C13H13O6N2BrSmiles:
O[C@H]1O[C@H](c2nnc(-c3cccc(Br)c3)o2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Brc1cccc(-c2nnco2)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 373.16 | Num_heavy_atoms: | 22 |
| TPSA: | 129.07 | 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 |
