Glycoside
GD145834
Name:
AeginetosideFormula:
C21H36O8Smiles:
CC(C=CC1(O)C(C)(C)CCCC1(C)OC1OC(CO)C(O)C(O)C1O)=CCOAglycone:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.51 | Num_heavy_atoms: | 29 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD58513
Formula: C15H26O3
Smiles:
CC(C=CC1(O)C(C)(C)CCCC1(C)O)=CCO| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
