Glycoside
GD001689
Name:
PLANTAGINEOSIDE BFormula:
C31H44O15Smiles:
OC[C@@H]1O[C@H](Oc2ccc(CCCC[C@H](O)CCc3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(O)c3)cc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.61 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 14 |
| MolWt: | 656.68 | Num_heavy_atoms: | 46 |
| TPSA: | 259.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01667
Formula: C19H24O5
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)c(O)c2)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 8 |
| MolWt: | 332.4 | Num_heavy_atoms: | 24 |
| TPSA: | 101.15 | NumAromaticRings: | 2 |
