Glycoside
GD138316
Name:
Quinquangulin 6-O-Beta-D-Apiofuranosyl(1->6)-Beta-D-GlucopyranosideFormula:
C27H32O14Smiles:
COc1cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1CAglycone:
COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1CSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD53860
Formula: C16H14O5
Smiles:
COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1C| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
