Glycoside
GD117936
Name:
3-({6-[(1-butylidene-3-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acidFormula:
C21H24O11Smiles:
CCCC=C1OC(=O)c2c(OC3OC(COC(=O)CC(=O)O)C(O)C(O)C3O)cccc21Aglycone:
CCCC=C1OC(=O)c2c(O)cccc21.COC(=O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 8 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
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 |
AD47094
Formula: C12H12O3
Smiles:
CCCC=C1OC(=O)c2c(O)cccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.22 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
