Glycoside
GD150622
Name:
1-(2,2-dimethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-6-yl)ethan-1-oneFormula:
C19H24O8Smiles:
CC(=O)c1cc2c(c(OC3OC(CO)C(O)C(O)C3O)c1)OC(C)(C)C=C2Aglycone:
CC(=O)c1cc(O)c2c(c1)C=CC(C)(C)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.39 | Num_heavy_atoms: | 27 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD51027
Formula: C13H14O3
Smiles:
CC(=O)c1cc(O)c2c(c1)C=CC(C)(C)O2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.25 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
