Glycoside
GD135766
Name:
NoneFormula:
C60H100O24Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CCC4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3C(O)C(O)C12CAglycone:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3C(O)C(O)C12CSugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1Other Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 18 |
| MolWt: | 1205.44 | Num_heavy_atoms: | 84 |
| TPSA: | 317.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD54892
Formula: C26H42O6
Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3C(O)C(O)C12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 450.62 | Num_heavy_atoms: | 32 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
Sugarmoiety
SD00904
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1