Glycoside
GD122951
Name:
3-[(6-{[3-(2,4-dimethoxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acidFormula:
C26H28O14Smiles:
COc1ccc(C2COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3C2=O)c(OC)c1Aglycone:
COC(=O)CC(=O)O.COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(OC)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 207.74 | 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 |
AD49590
Formula: C17H16O6
Smiles:
COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(OC)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
