Glycoside
GD135322
Name:
Kaempferol 3-Glucuronide-7-SulfateFormula:
C21H18O15SSmiles:
O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OS(=O)(=O)O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.24 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 542.43 | Num_heavy_atoms: | 37 |
| TPSA: | 250.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD54720
Formula: C15H10O9S
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)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 |
