Glycoside
GD138123
Name:
Ilexhainanoside BFormula:
C36H54O11Smiles:
CC1=C(CO)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12Aglycone:
CC1=C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.82 | Num_heavy_atoms: | 47 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55773
Formula: C30H44O6
Smiles:
CC1=C(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C12| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 500.68 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
