Glycoside
GD158067
Name:
3-(acetyloxy)-5-hydroxy-6-methyl-2-[(3,4,5-trihydroxy-6-{[5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]oxan-4-yl acetateFormula:
C33H38O17Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC5OC(C)C(O)C(OC(C)=O)C5OC(C)=O)C(O)C(O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(OCC2OC(O)C(O)C(O)C2O)OC(C)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 706.65 | Num_heavy_atoms: | 50 |
| TPSA: | 239.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00146
Formula: C17H14O6
Smiles:
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
