Glycoside
GD148214
Name:
3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,5-dimethyl-8-(3-oxobutyl)-6-oxabicyclo[3.2.1]octan-7-oneFormula:
C24H38O13Smiles:
CC(=O)CCC1C2(C)CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)CC1(C)C(=O)O2Aglycone:
CC(=O)CCC1C2(C)CC(O)CC1(C)C(=O)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 534.56 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD46031
Formula: C13H20O4
Smiles:
CC(=O)CCC1C2(C)CC(O)CC1(C)C(=O)O2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.3 | Num_heavy_atoms: | 17 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
