Glycoside
GD002065
Name:
NoneFormula:
C21H30O9Smiles:
CC(=CCCC(C)c1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)cc1C)C(=O)OAglycone:
CC(=CCCC(C)c1cc(O)c(O)cc1C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD02007
Formula: C15H20O4
Smiles:
CC(=CCCC(C)c1cc(O)c(O)cc1C)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
