Glycoside
GD023698
Name:
Egonol GentiobiosideFormula:
C31H38O15Smiles:
COc1cc(CCCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc2cc(-c3ccc4c(c3)OCO4)oc12Aglycone:
COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 650.63 | Num_heavy_atoms: | 46 |
| TPSA: | 219.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00502
Formula: C19H18O5
Smiles:
COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.35 | Num_heavy_atoms: | 24 |
| TPSA: | 61.06 | NumAromaticRings: | 3 |
