Glycoside
GD131854
Name:
3-oxo-3-({3,4,5-trihydroxy-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxan-2-yl}methoxy)propanoic acidFormula:
C19H24O10Smiles:
C=CCc1ccc(OC2OC(COC(=O)CC(=O)O)C(O)C(O)C2O)c(OC)c1Aglycone:
C=CCc1ccc(O)c(OC)c1.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 412.39 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD02253
Formula: C10H12O2
Smiles:
C=CCc1ccc(O)c(OC)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
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 |
