Glycoside
GD138169
Name:
6-[2-bromo-6-(hydroxycarbamoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H14O9NBrSmiles:
O=C(O)C1OC(Oc2c(Br)cccc2C(O)=NO)C(O)C(O)C1OAglycone:
ON=C(O)c1cccc(Br)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.16 | Num_heavy_atoms: | 24 |
| TPSA: | 169.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD55792
Formula: C7H6O3NBr
Smiles:
ON=C(O)c1cccc(Br)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 232.03 | Num_heavy_atoms: | 12 |
| TPSA: | 73.05 | NumAromaticRings: | 1 |
