Glycoside
GD141209
Name:
2-({5-hydroxy-1,3,3-trimethyl-2,6-dioxabicyclo[3.2.2]nonan-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H28O9Smiles:
CC1(C)CC2(O)CCC(C)(O1)C(OC1OC(CO)C(O)C(O)C1O)O2Aglycone:
CC1(C)CC2(O)CCC(C)(O1)C(O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.39 | Num_heavy_atoms: | 25 |
| TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD56907
Formula: C10H18O4
Smiles:
CC1(C)CC2(O)CCC(C)(O1)C(O)O2| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.25 | Num_heavy_atoms: | 14 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
