Glycoside
GD146058
Name:
3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acidFormula:
C21H20O10Smiles:
O=C1c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2OCC1c1ccc(O)cc1Aglycone:
O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.38 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD10433
Formula: C15H12O4
Smiles:
O=C1c2ccc(O)cc2OCC1c1ccc(O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
