Glycoside
GD107964
Name:
NoneFormula:
C36H52O15Smiles:
COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4C(=O)C[C@]5(C)[C@@H](CC[C@]5(O)[C@@H](O)COC(C)=O)[C@@H]4CC[C@@H]3C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=O)OCC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21CSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.8 | Num_heavy_atoms: | 51 |
| TPSA: | 207.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD44379
Formula: C23H36O6
Smiles:
CC(=O)OCC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.91 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 408.54 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
