Glycoside
GD152866
Name:
Khekadaengoside BFormula:
C42H64O17Smiles:
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)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)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.83 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 840.96 | Num_heavy_atoms: | 59 |
| TPSA: | 290.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD13503
Formula: C30H44O7
Smiles:
CC(C)(O)CCC(=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: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 5 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 132.13 | NumAromaticRings: | 0 |
