Glycoside
GD014792
Name:
LACTUCASIDEFormula:
C26H32O13Smiles:
COc1cc([C@@H]2O[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]3[C@@H]2[C@@H](O)O[C@H]3c2ccc(O)c(OC)c2)ccc1OAglycone:
COc1cc(C2OC(O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD10837
Formula: C20H22O8
Smiles:
COc1cc(C2OC(O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
