Glycoside
GD141897
Name:
2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-6-({1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)oxane-3,4,5-triolFormula:
C22H38O11Smiles:
CC1OC(OCC2OC(OC3CC4CCC3(C)OC4(C)C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)OC2(C)CCC1CC2OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.54 | Num_heavy_atoms: | 33 |
| TPSA: | 167.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD22132
Formula: C10H18O2
Smiles:
CC1(C)OC2(C)CCC1CC2O| 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 |
