Glycoside
GD138621
Name:
(5-{[6-(2,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl)methyl 3,4-dimethoxybenzoateFormula:
C28H36O15Smiles:
COc1ccc(OC2OC(COC3OCC(O)(COC(=O)c4ccc(OC)c(OC)c4)C3O)C(O)C(O)C2O)c(OC)c1Aglycone:
COC(=O)c1ccc(OC)c(OC)c1.COc1ccc(O)c(OC)c1Sugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 612.58 | Num_heavy_atoms: | 43 |
| TPSA: | 201.29 | NumAromaticRings: | 2 |
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 |
AD50362
Formula: C8H10O3
Smiles:
COc1ccc(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 38.69 | NumAromaticRings: | 1 |
