Glycoside
GD128109
Name:
2-({[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}methyl)-6-({2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-3,5-dihydroxyoxan-4-yl acetateFormula:
C46H58O27Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(COC5OC(C)C(OC(C)=O)C(O)C5OC(C)=O)C(O)C(OC(C)=O)C4O)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC(=O)OC1C(C)OC(OCC2OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(OC(C)=O)C2O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.61 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 16 |
| MolWt: | 1042.94 | Num_heavy_atoms: | 73 |
| TPSA: | 394.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
Sugarmoiety
SD06882
CC(=O)OC1C(C)OC(OCC2OC(OC3C(OC4C(O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)C(O)C(OC(C)=O)C2O)C(OC(C)=O)C1O