Glycoside
GD117131
Name:
Khekadaengoside FFormula:
C36H54O13Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12CAglycone:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 694.81 | Num_heavy_atoms: | 49 |
| TPSA: | 231.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD46652
Formula: C30H44O8
Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 532.67 | Num_heavy_atoms: | 38 |
| TPSA: | 152.36 | NumAromaticRings: | 0 |
