Glycoside
GD109980
Name:
NoneFormula:
C36H52O14Smiles:
COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@]5(C)[C@@H](CC[C@]5(O)C(=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)C3CCC21CSugarmoiety:
COC(=O)C1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 2.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 708.8 | Num_heavy_atoms: | 50 |
| TPSA: | 187.26 | NumAromaticRings: | 0 |
Unique Aglycone
AD44603
Formula: C23H36O5
Smiles:
CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 3.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 392.54 | Num_heavy_atoms: | 28 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
