Glycoside
GD018859
Name:
NoneFormula:
C28H52O12Smiles:
CCCCCCCCCCCC[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCC(C)O.COC(C)=OSugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 18 |
| MolWt: | 580.71 | Num_heavy_atoms: | 40 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD13228
Formula: C14H30O
Smiles:
CCCCCCCCCCCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 214.39 | Num_heavy_atoms: | 15 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
