Glycoside
GD021275
Name:
NoneFormula:
C29H38O14Smiles:
CC(CCC(=O)O)(c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 610.61 | Num_heavy_atoms: | 43 |
| TPSA: | 236.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD14574
Formula: C17H18O4
Smiles:
CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
