Glycoside
GD120551
Name:
(5-{[2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C28H34O15Smiles:
COc1cc(C(=O)OCC2(O)COC(OC3C(Oc4ccc(C(C)=O)cc4)OC(CO)C(O)C3O)C2O)cc(OC)c1OAglycone:
CC(=O)c1ccc(O)cc1.COC(=O)c1cc(OC)c(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 11 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 220.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD02845
Formula: C8H8O2
Smiles:
CC(=O)c1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
