Glycoside
GD140857
Name:
SecogaliosideFormula:
C17H24O12Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CC1OC(O)C2O1Aglycone:
COC(=O)C1=COC(O)C2C1CC1OC(O)C2O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -3.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 173.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD56787
Formula: C11H14O7
Smiles:
COC(=O)C1=COC(O)C2C1CC1OC(O)C2O1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 258.23 | Num_heavy_atoms: | 18 |
| TPSA: | 94.45 | NumAromaticRings: | 0 |
