Glycoside
GD141997
Name:
5-(acetyloxy)-7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-8-yl acetateFormula:
C32H36O19Smiles:
COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(OC(C)=O)c3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(O)c(OC(C)=O)c3o2)ccc1OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 724.62 | Num_heavy_atoms: | 51 |
| TPSA: | 290.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD57164
Formula: C20H16O9
Smiles:
COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(O)c(OC(C)=O)c3o2)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 400.34 | Num_heavy_atoms: | 29 |
| TPSA: | 132.5 | NumAromaticRings: | 3 |
