Glycoside
GD126146
Name:
1-(8-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-2,2-dimethyl-2H-chromen-6-yl)ethan-1-oneFormula:
C24H32O12Smiles:
CC(=O)c1cc2c(c(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)c1)OC(C)(C)C=C2Aglycone:
CC(=O)c1cc(O)c2c(c1)C=CC(C)(C)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.51 | Num_heavy_atoms: | 36 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD51027
Formula: C13H14O3
Smiles:
CC(=O)c1cc(O)c2c(c1)C=CC(C)(C)O2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 218.25 | Num_heavy_atoms: | 16 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
