Glycoside
GD023787
Name:
3-(acetyloxy)-2-[(6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-5-hydroxy-6-methyloxan-4-yl acetateFormula:
C32H36O18Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1OSugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.62 | Num_heavy_atoms: | 50 |
| TPSA: | 270.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD04392
Formula: C16H12O7
Smiles:
COc1c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
