Glycoside
GD146678
Name:
GypsophilinosideFormula:
C36H56O13SSmiles:
C=C(C)C1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(CCC4C5CCC(OS(=O)(=O)O)C(C)(C(=O)O)C5CCC43C)C12CAglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5CCC(OS(=O)(=O)O)C(C)(C(=O)O)C5CCC43C)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 728.9 | Num_heavy_atoms: | 50 |
| TPSA: | 217.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD58792
Formula: C30H46O8S
Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5CCC(OS(=O)(=O)O)C(C)(C(=O)O)C5CCC43C)C12C| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 566.76 | Num_heavy_atoms: | 39 |
| TPSA: | 138.2 | NumAromaticRings: | 0 |
