Glycoside
GD147711
Name:
6-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-2-[(3,4-dihydroxyphenyl)methylidene]-7-methoxy-2,3-dihydro-1-benzofuran-3-oneFormula:
C26H28O14Smiles:
COc1c(OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=OAglycone:
COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=OSugarmoiety:
OC1COC(OC2C(O)COC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 564.5 | Num_heavy_atoms: | 40 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD19967
Formula: C16H12O6
Smiles:
COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
