Glycoside
GD120388
Name:
Patuletin 3-Glucoside-7-SulfateFormula:
C22H22O16SSmiles:
COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3O)c(=O)c2c1OAglycone:
COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 574.47 | Num_heavy_atoms: | 39 |
| TPSA: | 263.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD48360
Formula: C16H12O11S
Smiles:
COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.33 | Num_heavy_atoms: | 28 |
| TPSA: | 183.96 | NumAromaticRings: | 3 |
