Glycoside
GD157982
Name:
1-(2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methylphenyl)ethan-1-oneFormula:
C20H28O11Smiles:
CC(=O)c1c(C)cccc1OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC(=O)c1c(C)cccc1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 175.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD26842
Formula: C9H10O2
Smiles:
CC(=O)c1c(C)cccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
