Glycoside
GD142101
Name:
(3,4,5-trihydroxyoxolan-3-yl)methyl 3,4-dimethoxybenzoateFormula:
C14H18O8Smiles:
COc1ccc(C(=O)OCC2(O)COC(O)C2O)cc1OCAglycone:
COC(=O)c1ccc(OC)c(OC)c1Sugarmoiety:
OC1OCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 114.68 | NumAromaticRings: | 1 |
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 |
