Glycoside
GD006619
Name:
PHYSALOSIDE AFormula:
C29H50O13Smiles:
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@]2(CO)O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1OC(=O)C=C(C)CAglycone:
CC(C)=CC(=O)O.CCCCCCCCCCCC(=O)OSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 18 |
| MolWt: | 606.71 | Num_heavy_atoms: | 42 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00258
Formula: C5H8O2
Smiles:
CC(C)=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
