Glycoside
GD124043
Name:
[2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxyphenyl]methyl 2-methoxybenzoateFormula:
C28H28O11Smiles:
COc1ccccc1C(=O)OCc1cc(O)ccc1OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
COC(=O)c1ccccc1.COc1ccccc1C(=O)OCc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.52 | Num_heavy_atoms: | 39 |
| TPSA: | 161.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD50083
Formula: C15H14O5
Smiles:
COc1ccccc1C(=O)OCc1cc(O)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
