Glycoside
GD120334
Name:
Gossypetin 8-Glucoside-3-SulfateFormula:
C21H20O16SSmiles:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12Aglycone:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.29 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 560.44 | Num_heavy_atoms: | 38 |
| TPSA: | 274.11 | NumAromaticRings: | 3 |
Unique Aglycone
AD48330
Formula: C15H10O11S
Smiles:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.0 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 398.3 | Num_heavy_atoms: | 27 |
| TPSA: | 194.96 | NumAromaticRings: | 3 |
