Glycoside
GD035318
Name:
6-(2-hydroxy-3-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5,7-dimethoxy-2H-chromen-2-oneFormula:
C22H30O11Smiles:
COc1cc2oc(=O)ccc2c(OC)c1C[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 470.47 | Num_heavy_atoms: | 33 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD17827
Formula: C16H20O6
Smiles:
COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(C)(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.33 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
