Glycoside
GD004610
Name:
NoneFormula:
C36H60O8Smiles:
CC(C)(O)CCC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1CC[C@@H]1C3=C(CC[C@]12C)C(C)(C)[C@@H]1CC[C@H]3O1Aglycone:
CC(C)(O)CCCC(CO)C1CCC2(C)C1CCC1C3=C(CCC12C)C(C)(C)C1CCC3O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 4.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 620.87 | Num_heavy_atoms: | 44 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD04003
Formula: C30H50O3
Smiles:
CC(C)(O)CCCC(CO)C1CCC2(C)C1CCC1C3=C(CCC12C)C(C)(C)C1CCC3O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
