Glycoside
GD111254
Name:
Beesioside MFormula:
C37H60O10Smiles:
CC(=O)O[C@H]1[C@H](O)[C@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)[C@@]2(C)CC[C@@]34C[C@@]35CC[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]5CC[C@@H]4[C@]12CAglycone:
CC(=O)OC1C(O)C(C2(C)CCC(C(C)(C)O)O2)C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 664.88 | Num_heavy_atoms: | 47 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD18264
Formula: C32H52O6
Smiles:
CC(=O)OC1C(O)C(C2(C)CCC(C(C)(C)O)O2)C2(C)CCC34CC35CCC(O)C(C)(C)C5CCC4C12C| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 532.76 | Num_heavy_atoms: | 38 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
