Glycoside
GD132829
Name:
Khekadaengoside JFormula:
C42H64O16Smiles:
CC1OC(OC2C(OC3=CC4C(=CCC5C4(C)C(=O)CC4(C)C6C(CC54C)OC(C(O)C(C)(C)O)CC6(C)O)C(C)(C)C3=O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C3C(CC12C)OC(C(O)C(C)(C)O)CC3(C)OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 824.96 | Num_heavy_atoms: | 58 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD53774
Formula: C30H44O7
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C3C(CC12C)OC(C(O)C(C)(C)O)CC3(C)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 516.68 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
