Glycoside
GD116722
Name:
[2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxyphenyl]methyl 2-(2-oxo-2-phenylethyl)benzoateFormula:
C35H32O11Smiles:
O=C(Cc1ccccc1C(=O)OCc1cc(O)ccc1OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(Cc1ccccc1C(=O)OCc1cc(O)ccc1O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 11 |
| MolWt: | 628.63 | Num_heavy_atoms: | 46 |
| TPSA: | 169.05 | NumAromaticRings: | 4 |
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 |
AD46405
Formula: C22H18O5
Smiles:
O=C(Cc1ccccc1C(=O)OCc1cc(O)ccc1O)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.09 |
| AlogP: | 3.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.38 | Num_heavy_atoms: | 27 |
| TPSA: | 83.83 | NumAromaticRings: | 3 |
