Glycoside
GD136296
Name:
[4-({6-[({4-[(3,4-dimethoxybenzoyloxy)methyl]-3,4-dihydroxyoxolan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-methoxyphenyl]methyl 3,4-dimethoxybenzoateFormula:
C37H44O18Smiles:
COc1ccc(C(=O)OCc2ccc(OC3OC(COC4OCC(O)(COC(=O)c5ccc(OC)c(OC)c5)C4O)C(O)C(O)C3O)c(OC)c2)cc1OCAglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1cc(COC(=O)c2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 16 |
| MolWt: | 776.74 | Num_heavy_atoms: | 55 |
| TPSA: | 236.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD13182
Formula: C10H12O4
Smiles:
COC(=O)c1ccc(OC)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 44.76 | NumAromaticRings: | 1 |
AD52370
Formula: C17H18O6
Smiles:
COc1cc(COC(=O)c2ccc(OC)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 318.32 | Num_heavy_atoms: | 23 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
