Glycoside
GD157112
Name:
Limocitrol 3-[Alpha-L-Arabinopyranosyl-(1->3)[Galactosyl-(1->6)]-Galactoside]Formula:
C35H44O23Smiles:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC3OCC(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.57 |
| AlogP: | -3.93 | Num_rotatable_bonds: | 12 |
| MolWt: | 832.71 | Num_heavy_atoms: | 58 |
| TPSA: | 356.04 | 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 |
