Glycoside
GD147808
Name:
Khekadaengoside AFormula:
C42H64O16Smiles:
CC1OC(OC2C(OC3=CC4C(=CCC5C4(C)C(=O)CC4(C)C(C(C)(O)C(=O)CCC(C)(C)O)C(O)CC54C)C(C)(C)C3=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
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:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.83 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| TPSA: | 270.2 | 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 |
