Glycoside
GD147181
Name:
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methoxy]propanoic acidFormula:
C26H30O13Smiles:
COc1ccc(C2COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)ccc3C2)c(O)c1OCAglycone:
COC(=O)CC(=O)O.COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 190.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD42315
Formula: C17H18O5
Smiles:
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 2 |
