Glycoside
GD130031
Name:
Limocitrol 3-NeohesperidosideFormula:
C30H36O18Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 684.6 | Num_heavy_atoms: | 48 |
| TPSA: | 276.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD52685
Formula: C18H16O9
Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.32 | Num_heavy_atoms: | 27 |
| TPSA: | 138.82 | NumAromaticRings: | 3 |
