Glycoside
GD030528
Name:
SUTHERLANDIOSIDE CFormula:
C36H58O10Smiles:
C[C@H](CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H](O)CC(=O)[C@]45C[C@]35C(=O)C[C@]12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CC(=O)C45CC35C(=O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 650.85 | Num_heavy_atoms: | 46 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD19750
Formula: C30H48O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C)C(O)CC(=O)C45CC35C(=O)CC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
