Glycoside
GD122752
Name:
NoneFormula:
C46H86O13Smiles:
CCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1OC(=O)CCCCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCC(=O)OC.OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 35 |
| MolWt: | 847.18 | Num_heavy_atoms: | 59 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00421
Formula: C6H12O6
Smiles:
OC1C(O)C(O)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | -3.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.16 | Num_heavy_atoms: | 12 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
AD07204
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.94 | Num_rotatable_bonds: | 15 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD17521
Formula: C18H36O2
Smiles:
CCCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 6.03 | Num_rotatable_bonds: | 15 |
| MolWt: | 284.48 | Num_heavy_atoms: | 20 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
