Glycoside
GD146544
Name:
Khekadaengoside CFormula:
C36H52O11Smiles:
C=C(C)CCC(=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:
C=C(C)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(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.75 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 660.8 | Num_heavy_atoms: | 47 |
| TPSA: | 191.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD58753
Formula: C30H42O6
Smiles:
C=C(C)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: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 4.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 498.66 | Num_heavy_atoms: | 36 |
| TPSA: | 111.9 | NumAromaticRings: | 0 |
