Glycoside
GD134945
Name:
Khekadaengoside DFormula:
C36H54O12Smiles:
CC(C)(O)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(C)(O)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 678.82 | Num_heavy_atoms: | 48 |
| TPSA: | 214.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD54588
Formula: C30H44O7
Smiles:
CC(C)(O)C=CC(O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 135.29 | NumAromaticRings: | 0 |
