Glycoside
GD147039
Name:
3-[4-hydroxy-3-(propan-2-yl)phenyl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C24H26O9Smiles:
CC(C)c1cc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3c2=O)ccc1OAglycone:
CC(C)c1cc(-c2coc3cc(O)ccc3c2=O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.46 | Num_heavy_atoms: | 33 |
| TPSA: | 149.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD58901
Formula: C18H16O4
Smiles:
CC(C)c1cc(-c2coc3cc(O)ccc3c2=O)ccc1O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
