Glycoside
GD121079
Name:
5-(5-acetyl-6-methoxy-1-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-1H-2-benzopyran-3-yl)penta-2,4-dienalFormula:
C23H26O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1C(C)=O)CC(C=CC=CC=O)OC2=OAglycone:
COc1cc(O)c2c(c1C(C)=O)CC(C=CC=CC=O)OC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD48703
Formula: C17H16O6
Smiles:
COc1cc(O)c2c(c1C(C)=O)CC(C=CC=CC=O)OC2=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 89.9 | NumAromaticRings: | 1 |
