Glycoside
GD133048
Name:
Quinquangulin 6-O-Beta-D-GlucopyranosideFormula:
C22H24O10Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(O)c3c(=O)cc(C)oc3cc2c1CAglycone:
COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 159.05 | 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 |
