Glycoside
GD135745
Name:
1-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,6-dihydroxyphenyl)-2-methylbutan-1-oneFormula:
C22H32O13Smiles:
CCC(C)C(=O)c1c(O)cc(O)cc1OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CCC(C)C(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.68 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.49 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD08860
Formula: C11H14O4
Smiles:
CCC(C)C(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
