Glycoside
GD069876
Name:
6-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)hexa-3,5-dien-2-oneFormula:
C18H22O8Smiles:
CC(=O)/C=C/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CC(=O)C=CC=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 366.37 | Num_heavy_atoms: | 26 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD33095
Formula: C12H12O3
Smiles:
CC(=O)C=CC=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.22 | Num_heavy_atoms: | 15 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
