Glycoside
GD114728
Name:
2-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-methoxybenzoic acidFormula:
C21H22O10Smiles:
COc1ccc(OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O)c(C(=O)O)c1Aglycone:
COC(=O)c1ccccc1.COc1ccc(O)c(C(=O)O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 434.4 | Num_heavy_atoms: | 31 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD45239
Formula: C8H8O4
Smiles:
COc1ccc(O)c(C(=O)O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
