Glycoside
GD005692
Name:
LETHEDIOSIDE AFormula:
C29H34O15Smiles:
COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.58 | Num_heavy_atoms: | 44 |
| TPSA: | 216.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD04796
Formula: C18H16O6
Smiles:
COc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
