Glycoside
GD135147
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl}oxy)oxane-3,4,5-triolFormula:
C21H36O11Smiles:
CC12CCC(C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C1)C(C)(C)O2Aglycone:
CC12CCC(C(O)C1)C(C)(C)O2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.51 | Num_heavy_atoms: | 32 |
| TPSA: | 167.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD54656
Formula: C10H18O2
Smiles:
CC12CCC(C(O)C1)C(C)(C)O2| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
