Glycoside
GD141866
Name:
2-(4-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}phenyl)-5-hydroxy-7-methoxy-6-methyl-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O14Smiles:
COc1cc2c(c(O)c1C)C(=O)CC(c1ccc(OC3C(CO)OC(OC4OCC(O)C(O)C4O)C(O)C3O)cc1)O2Aglycone:
COc1cc2c(c(O)c1C)C(=O)CC(c1ccc(O)cc1)O2Sugarmoiety:
OCC1OC(OC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD57119
Formula: C17H16O5
Smiles:
COc1cc2c(c(O)c1C)C(=O)CC(c1ccc(O)cc1)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.31 | Num_heavy_atoms: | 22 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
