Glycoside
GD001654
Name:
NoneFormula:
C22H36O11Smiles:
CC(C)=CCCC(C)=CC(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)=CCCC(C)=CC(=O)OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.52 | Num_heavy_atoms: | 33 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD01637
Formula: C10H16O2
Smiles:
CC(C)=CCCC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 168.24 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
