Glycoside
GD115981
Name:
1-{2,4-dimethoxy-6-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethan-1-oneFormula:
C21H30O13Smiles:
COc1cc(OC)c(C(C)=O)c(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)c1Aglycone:
COc1cc(O)c(C(C)=O)c(OC)c1Sugarmoiety:
CO.OC1COC(OCC2OOC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 490.46 | Num_heavy_atoms: | 34 |
| TPSA: | 193.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD45977
Formula: C10H12O4
Smiles:
COc1cc(O)c(C(C)=O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
