Glycoside
GD151804
Name:
Ketodeoxymyxol GlucosideFormula:
C46H64O8Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)OC1OC(CO)C(O)C(O)C1O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CAglycone:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 16 |
| MolWt: | 745.01 | Num_heavy_atoms: | 54 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD24678
Formula: C40H54O3
Smiles:
CC(C=CC=C(C)C=CC=C(C)C=CC(O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 9.89 | Num_rotatable_bonds: | 13 |
| MolWt: | 582.87 | Num_heavy_atoms: | 43 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
