Glycoside
GD157893
Name:
2-[1,2-bis(benzoyloxy)ethyl]-5-ethoxy-4-hydroxyoxolan-3-yl benzoateFormula:
C29H28O9Smiles:
CCOC1OC(C(COC(=O)c2ccccc2)OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OAglycone:
O=C(O)c1ccccc1.O=C(OCCOC(=O)c1ccccc1)c1ccccc1Sugarmoiety:
CCOC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.28 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 520.53 | Num_heavy_atoms: | 38 |
| TPSA: | 117.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD44720
Formula: C16H14O4
Smiles:
O=C(OCCOC(=O)c1ccccc1)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 52.6 | NumAromaticRings: | 2 |
