Glycoside
GD152331
Name:
Kaempferol 3-Sulfate-7-Alpha-ArabinopyranosideFormula:
C20H18O13SSmiles:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)cc2)oc2cc(OC3OCC(O)C(O)C3O)cc(O)c12Aglycone:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.25 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.42 | Num_heavy_atoms: | 34 |
| TPSA: | 213.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD60667
Formula: C15H10O9S
Smiles:
O=c1c(OS(=O)(=O)O)c(-c2ccc(O)cc2)oc2cc(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 |
