Glycoside
GD135714
Name:
Vitexin 7-O-SulfateFormula:
C21H20O13SSmiles:
O=c1cc(-c2ccc(O)cc2)oc2c(C3OC(CO)C(O)C(O)C3O)c(OS(=O)(=O)O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 512.45 | Num_heavy_atoms: | 35 |
| TPSA: | 224.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD54871
Formula: C15H10O8S
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OS(=O)(=O)O)cc(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.3 | Num_heavy_atoms: | 24 |
| TPSA: | 134.27 | NumAromaticRings: | 3 |
