Glycoside
GD016501
Name:
1,3,4-tris(benzoyloxy)butan-2-yl benzoateFormula:
C32H26O8Smiles:
O=C(OC[C@H](OC(=O)c1ccccc1)[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
OOCC(OO)C(COO)OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 5.15 | Num_rotatable_bonds: | 11 |
| MolWt: | 538.55 | Num_heavy_atoms: | 40 |
| TPSA: | 105.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
