Glycoside
GD133688
Name:
6-(4-bromo-2-carbamoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H14O8NBrSmiles:
N=C(O)c1cc(Br)ccc1OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
N=C(O)c1cc(Br)ccc1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 392.16 | Num_heavy_atoms: | 23 |
| TPSA: | 160.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD54093
Formula: C7H6O2NBr
Smiles:
N=C(O)c1cc(Br)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.03 | Num_heavy_atoms: | 11 |
| TPSA: | 64.31 | NumAromaticRings: | 1 |
