Glycoside
GD147866
Name:
1,3,4-tris(4-hydroxybenzoyloxy)butan-2-yl 4-hydroxybenzoateFormula:
C32H26O12Smiles:
O=C(OCC(OC(=O)c1ccc(O)cc1)C(COC(=O)c1ccc(O)cc1)OC(=O)c1ccc(O)cc1)c1ccc(O)cc1Aglycone:
O=Cc1ccc(O)cc1.O=Cc1ccc(O)cc1.O=Cc1ccc(O)cc1.O=Cc1ccc(O)cc1Sugarmoiety:
OOCC(OO)C(COO)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 602.55 | Num_heavy_atoms: | 44 |
| TPSA: | 186.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
