Glycoside
GD115485
Name:
AmygdalosideFormula:
C26H40O10Smiles:
CC12CCCC3(C)C4CCC5CC4(COC(OC1=O)C23)CC5(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC12CCCC3(C)C4CCC5CC4(COC(OC1=O)C23)CC5(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.96 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.6 | Num_heavy_atoms: | 36 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD45692
Formula: C20H30O5
Smiles:
CC12CCCC3(C)C4CCC5CC4(COC(OC1=O)C23)CC5(O)CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.46 | Num_heavy_atoms: | 25 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
