Glycoside
GD028973
Name:
CUPACINOSIDEFormula:
C40H62O14Smiles:
CC(=O)OC[C@@H]1O[C@H](OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](O)[C@H]1OAglycone:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO.COC(C)=OSugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 19 |
| MolWt: | 766.92 | Num_heavy_atoms: | 54 |
| TPSA: | 182.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD18884
Formula: C20H34O
Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 6.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 290.49 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
