Glycoside
GD002656
Name:
SUTHERLANDIOSIDE BFormula:
C36H60O10Smiles:
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]3[C@H](O)C[C@@H]4C(C)(C)[C@H](O)CC(=O)[C@]45C[C@@]35CC[C@]12CAglycone:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(=O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.97 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.87 | Num_heavy_atoms: | 46 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD02507
Formula: C30H50O5
Smiles:
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(=O)C45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.48 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
