Glycoside
GD144216
Name:
2-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(3-hydroxy-5-methoxybenzoyl)phenoxy)oxane-3,4,5-triolFormula:
C24H28O14Smiles:
COc1cc(O)cc(C(=O)c2c(OC3OCC(O)C(O)C3O)cc(O)cc2OC2OC(CO)C(O)C2O)c1Aglycone:
COc1cc(O)cc(C(=O)c2c(O)cc(O)cc2O)c1Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 540.47 | Num_heavy_atoms: | 38 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD57965
Formula: C14H12O6
Smiles:
COc1cc(O)cc(C(=O)c2c(O)cc(O)cc2O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
