Glycoside
GD128145
Name:
2-(hydroxymethyl)-6-{[1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy}oxane-3,4,5-triolFormula:
C16H28O8Smiles:
CC1(C)OC2(CO)CCC1CC2OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)OC2(CO)CCC1CC2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.39 | Num_heavy_atoms: | 24 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD51908
Formula: C10H18O3
Smiles:
CC1(C)OC2(CO)CCC1CC2O| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
