Glycoside
GD144992
Name:
3,4,5-trihydroxy-6-{[2-(2-hydroxyphenyl)-5-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acidFormula:
C22H22O11Smiles:
COc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c1C(=O)CC(c1ccccc1O)O2Aglycone:
COc1cc(O)cc2c1C(=O)CC(c1ccccc1O)O2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD58227
Formula: C16H14O5
Smiles:
COc1cc(O)cc2c1C(=O)CC(c1ccccc1O)O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
