Glycoside
GD143429
Name:
(4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-pyran-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C20H22O12Smiles:
COc1cc(C(=O)OCc2occc(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C(=O)OCc2occc(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 454.38 | Num_heavy_atoms: | 32 |
| TPSA: | 185.35 | NumAromaticRings: | 2 |
Unique Aglycone
AD57689
Formula: C14H12O7
Smiles:
COc1cc(C(=O)OCc2occc(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 292.24 | Num_heavy_atoms: | 21 |
| TPSA: | 106.2 | NumAromaticRings: | 2 |
