Glycoside
GD144075
Name:
Isoorientin 7-O-SulfateFormula:
C21H20O14SSmiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)c(C3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.44 | Num_heavy_atoms: | 36 |
| TPSA: | 244.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD53937
Formula: C15H10O9S
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 366.3 | Num_heavy_atoms: | 25 |
| TPSA: | 154.5 | NumAromaticRings: | 3 |
