Glycoside
GD123350
Name:
Jasnudifloside HFormula:
C43H62O23Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC(=O)OC1CC(C(C)CO)C(COC(=O)CC2C(C(=O)OC)=COC(OC3OC(CO)C(O)C(O)C3O)C2=CC)C1CAglycone:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OC1CC(C(C)CO)C(COC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.72 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 17 |
| MolWt: | 946.95 | Num_heavy_atoms: | 66 |
| TPSA: | 353.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD49771
Formula: C31H42O13
Smiles:
CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OC1CC(C(C)CO)C(COC(=O)CC2C(C(=O)OC)=COC(O)C2=CC)C1C| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.61 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 622.66 | Num_heavy_atoms: | 44 |
| TPSA: | 195.35 | NumAromaticRings: | 0 |
