Glycoside
GD025879
Name:
NoneFormula:
C32H50O6Smiles:
CCO[C@@H]1O[C@H]([C@H](O)C(C)(C)O)C[C@@]1(O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)C3=CC[C@]12CAglycone:
CC(C)(O)CO.CC1(C)C(=O)CCC2(C)C3=CCC4(C)CCCC4(C)C3=CCC12Sugarmoiety:
CCOC1OC(O)CC1(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD09854
Formula: C4H10O2
Smiles:
CC(C)(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD17108
Formula: C22H32O
Smiles:
CC1(C)C(=O)CCC2(C)C3=CCC4(C)CCCC4(C)C3=CCC12| HBA: | 1 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 5.85 | Num_rotatable_bonds: | 0 |
| MolWt: | 312.5 | Num_heavy_atoms: | 23 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
