Glycoside
GD128924
Name:
1-(6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-2,4-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-methylbutan-1-oneFormula:
C24H36O14Smiles:
CC(C)CC(=O)c1c(OC2OC(CO)C(C)C(O)C2O)cc(O)c(OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
CC(C)CC(=O)c1c(O)cc(O)c(O)c1OSugarmoiety:
CC1C(CO)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 548.54 | Num_heavy_atoms: | 38 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD52220
Formula: C11H14O5
Smiles:
CC(C)CC(=O)c1c(O)cc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
