Glycoside
GD016131
Name:
NoneFormula:
C11H14O7N2Br2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1C(O)C(Br)BrAglycone:
O=c1[nH]cc(C(O)C(Br)Br)c(=O)[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.05 | Num_heavy_atoms: | 22 |
| TPSA: | 145.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD11651
Formula: C6H6O3N2Br2
Smiles:
O=c1[nH]cc(C(O)C(Br)Br)c(=O)[nH]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 313.93 | Num_heavy_atoms: | 13 |
| TPSA: | 85.95 | NumAromaticRings: | 1 |
