Glycoside
GD153337
Name:
Luteolin 7-Sulfate-3'-RutinosideFormula:
C27H30O18SSmiles:
CC1OC(OCC2OC(Oc3cc(-c4cc(=O)c5c(O)cc(OS(=O)(=O)O)cc5o4)ccc3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 674.59 | Num_heavy_atoms: | 46 |
| TPSA: | 292.57 | 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 |
