Glycoside
GD120882
Name:
25-O-Acetyl-12Beta-Hydroxycimigenol 3-O-Alpha-L-ArabinopyranosideFormula:
C37H58O11Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)C(O)CC24CC25CCC(OC2OCC(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3OAglycone:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)C(O)CC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.97 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 678.86 | Num_heavy_atoms: | 48 |
| TPSA: | 164.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD48604
Formula: C32H50O7
Smiles:
CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)C(O)CC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
