Glycoside
GD150123
Name:
Cordifolide AFormula:
C28H38O12SSmiles:
CC12CC(c3ccoc3)OC(=O)C1CC1OC(=O)C3(O)C(SCCOC4OC(CO)C(O)C(O)C4O)CCC2C13CAglycone:
CC12CC(c3ccoc3)OC(=O)C1CC1OC(=O)C3(O)C(SCCO)CCC2C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 598.67 | Num_heavy_atoms: | 41 |
| TPSA: | 185.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD59985
Formula: C22H28O7S
Smiles:
CC12CC(c3ccoc3)OC(=O)C1CC1OC(=O)C3(O)C(SCCO)CCC2C13C| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 436.53 | Num_heavy_atoms: | 30 |
| TPSA: | 106.2 | NumAromaticRings: | 1 |
