Glycoside
GD001746
Name:
5-(acetyloxy)-6-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-4-hydroxy-2-methyloxan-3-yl acetateFormula:
C32H36O19Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]4OC(C)=O)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(O)C(O)C(O)C2O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.62 | Num_heavy_atoms: | 51 |
| TPSA: | 290.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
