Glycoside
GD011612
Name:
5,7-dihydroxy-2-(propan-2-yl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-oneFormula:
C18H22O9Smiles:
CC(C)c1cc(=O)c2c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)cc2o1Aglycone:
CC(C)c1cc(=O)c2c(O)cc(O)cc2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 382.37 | Num_heavy_atoms: | 27 |
| TPSA: | 160.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD05184
Formula: C12H12O4
Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.22 | Num_heavy_atoms: | 16 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
