Glycoside
GD114818
Name:
3,4,5-trihydroxy-6-(2,2,2-tribromoethoxy)oxane-2-carboxylic acidFormula:
C8H11O7Br3Smiles:
O=C(O)C1OC(OCC(Br)(Br)Br)C(O)C(O)C1OAglycone:
OCC(Br)(Br)BrSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.88 | Num_heavy_atoms: | 18 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45307
Formula: C2H3OBr3
Smiles:
OCC(Br)(Br)Br| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 0 |
| MolWt: | 282.76 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
