Glycoside
GD118447
Name:
[2-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)phenyl]methyl benzoateFormula:
C22H24O9Smiles:
CC(=O)OCC1OC(Oc2ccccc2COC(=O)c2ccccc2)C(O)C(O)C1OAglycone:
COC(C)=O.O=C(OCc1ccccc1O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 131.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD47362
Formula: C14H12O3
Smiles:
O=C(OCc1ccccc1O)c1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
