Glycoside
GD131737
Name:
2-({4-hydroxy-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H28O8Smiles:
CC12CCC(O)(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(C)O2Aglycone:
CC12CCC(O)(CC1O)C(C)(C)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 348.39 | Num_heavy_atoms: | 24 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD51809
Formula: C10H18O3
Smiles:
CC12CCC(O)(CC1O)C(C)(C)O2| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
