Glycoside
GD132543
Name:
Ilexhainanoside AFormula:
C36H54O10Smiles:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC1CAglycone:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 3.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 646.82 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD46134
Formula: C30H44O5
Smiles:
CC1=C2C3=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 484.68 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
