Glycoside
GD125033
Name:
Segetoside AFormula:
C22H32O14Smiles:
COc1cc(CCC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)CCc1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -3.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 520.48 | Num_heavy_atoms: | 36 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD46613
Formula: C11H14O4
Smiles:
COC(=O)CCc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
