Glycoside
GD015394
Name:
NoneFormula:
C9H11O6N2BrSmiles:
O=c1[nH]c(=O)n([C@@H]2OC[C@](O)(CO)[C@H]2O)cc1BrAglycone:
O=c1[nH]cc(Br)c(=O)[nH]1Sugarmoiety:
OCC1(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 323.1 | Num_heavy_atoms: | 18 |
| TPSA: | 124.78 | NumAromaticRings: | 1 |
Unique Aglycone
AD04715
Formula: C4H3O2N2Br
Smiles:
O=c1[nH]cc(Br)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.98 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
