Glycoside
GD150702
Name:
5,7-dihydroxy-2-(propan-2-yl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C18H22O10Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)c(OC3OC(CO)C(O)C(O)C3O)c2o1Aglycone:
CC(C)c1cc(=O)c2c(O)cc(O)c(O)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 170.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD60170
Formula: C12H12O5
Smiles:
CC(C)c1cc(=O)c2c(O)cc(O)c(O)c2o1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.22 | Num_heavy_atoms: | 17 |
| TPSA: | 90.9 | NumAromaticRings: | 2 |
