Glycoside
GD146536
Name:
Zygophyloside JFormula:
C41H62O16Smiles:
C=C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.85 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 810.93 | Num_heavy_atoms: | 57 |
| TPSA: | 273.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD57910
Formula: C29H44O5
Smiles:
C=C1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 4.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
